smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)C[N@H+]1CCCC12CCN(c1nc3ccccc3c(Cl)c1C#N)CC2 ZINC001164689552 719737803 /nfs/dbraw/zinc/73/78/03/719737803.db2.gz HQAHYGWCTANFJG-UHFFFAOYSA-N 1 1 397.910 2.941 20 30 GFEDMO CC(C)c1ccc(C#N)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164869488 721054249 /nfs/dbraw/zinc/05/42/49/721054249.db2.gz SZTAODCFQQSGFQ-PMACEKPBSA-N 1 1 377.492 2.951 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(C#N)c(Cl)cc4Cl)C[C@H]3C2)cn1 ZINC001164759770 721230926 /nfs/dbraw/zinc/23/09/26/721230926.db2.gz BPBOTAVWWCCIEO-ZIAGYGMSSA-N 1 1 391.306 2.952 20 30 GFEDMO CSc1nc(Cl)c(C#N)c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164779878 721388299 /nfs/dbraw/zinc/38/82/99/721388299.db2.gz CXIVGXUBIIUUOJ-PHIMTYICSA-N 1 1 392.941 2.748 20 30 GFEDMO CSc1nc(Cl)c(C#N)c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164779878 721388301 /nfs/dbraw/zinc/38/83/01/721388301.db2.gz CXIVGXUBIIUUOJ-PHIMTYICSA-N 1 1 392.941 2.748 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)cc(C#N)n2)[C@@H]2CCCO[C@@H]12 ZINC001164806076 721547944 /nfs/dbraw/zinc/54/79/44/721547944.db2.gz NQVUPKIHHMZWGV-QWFCFKBJSA-N 1 1 383.883 2.870 20 30 GFEDMO N#Cc1cnc2cc[nH]c(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c1-2 ZINC001164912429 721548486 /nfs/dbraw/zinc/54/84/86/721548486.db2.gz ZSMNWZCQBFBBIM-SJLPKXTDSA-N 1 1 377.423 2.916 20 30 GFEDMO N#Cc1cc2c(nc1N1CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C1)CCOC2 ZINC001164907267 721562087 /nfs/dbraw/zinc/56/20/87/721562087.db2.gz NRWQMXAUFIEASM-QUCCMNQESA-N 1 1 394.450 2.507 20 30 GFEDMO Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ccc1CC#N ZINC001164811280 721581362 /nfs/dbraw/zinc/58/13/62/721581362.db2.gz XCWLLNOLZHVGBL-RZUBCFFCSA-N 1 1 377.492 2.719 20 30 GFEDMO Cc1ccc(CC#N)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164811982 721581812 /nfs/dbraw/zinc/58/18/12/721581812.db2.gz ZGAOQRNGBUJXCE-PCCBWWKXSA-N 1 1 377.492 2.719 20 30 GFEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)nn2)cc1 ZINC001164930276 721850277 /nfs/dbraw/zinc/85/02/77/721850277.db2.gz REYZDZVMNOYYRE-BVSLBCMMSA-N 1 1 390.535 2.655 20 30 GFEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)nn2)cc1 ZINC001164930276 721850279 /nfs/dbraw/zinc/85/02/79/721850279.db2.gz REYZDZVMNOYYRE-BVSLBCMMSA-N 1 1 390.535 2.655 20 30 GFEDMO Cc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ccc1CC#N ZINC001164960021 722060573 /nfs/dbraw/zinc/06/05/73/722060573.db2.gz CZNMZLZGBZFXCF-UHFFFAOYSA-N 1 1 391.519 2.970 20 30 GFEDMO Cc1cc(C#N)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164972433 722111075 /nfs/dbraw/zinc/11/10/75/722111075.db2.gz FHYSIVXSDNBJTJ-PZJWPPBQSA-N 1 1 377.492 2.692 20 30 GFEDMO Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1CC#N ZINC001164972715 722146041 /nfs/dbraw/zinc/14/60/41/722146041.db2.gz AJVJBSBABBBLGG-RTWAWAEBSA-N 1 1 377.492 2.578 20 30 GFEDMO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000185321872 552360952 /nfs/dbraw/zinc/36/09/52/552360952.db2.gz VSNIRNSATUGKHX-PBHICJAKSA-N 1 1 379.913 2.849 20 30 GFEDMO C=CCN1CCC([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000280260183 563329109 /nfs/dbraw/zinc/32/91/09/563329109.db2.gz XDXYXBSXTUCPOF-NSHDSACASA-N 1 1 392.352 2.942 20 30 GFEDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Br)cn1 ZINC000280364696 563333618 /nfs/dbraw/zinc/33/36/18/563333618.db2.gz JZQAGURYVIYABD-GFCCVEGCSA-N 1 1 394.294 2.840 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000297842955 563337466 /nfs/dbraw/zinc/33/74/66/563337466.db2.gz NCXILBRTWUFYIF-AWEZNQCLSA-N 1 1 383.945 2.716 20 30 GFEDMO C=CCN1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2F)C1=O ZINC000281263917 563371326 /nfs/dbraw/zinc/37/13/26/563371326.db2.gz HQHJWKCLPKMGPP-HNNXBMFYSA-N 1 1 398.276 2.636 20 30 GFEDMO C=CCn1cc(CNC2CC[NH+](Cc3ccccc3Br)CC2)nn1 ZINC000424166371 563372329 /nfs/dbraw/zinc/37/23/29/563372329.db2.gz AVBSGEGMTQMUIR-UHFFFAOYSA-N 1 1 390.329 2.981 20 30 GFEDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000282789922 563425167 /nfs/dbraw/zinc/42/51/67/563425167.db2.gz XRBQGGUSTADKHS-AAEUAGOBSA-N 1 1 375.416 2.680 20 30 GFEDMO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccccc1C#N ZINC000428799591 563502073 /nfs/dbraw/zinc/50/20/73/563502073.db2.gz JUUCCSBVNUQXIU-YVEFUNNKSA-N 1 1 388.265 2.971 20 30 GFEDMO C[C@H]1CN(C(=O)NCc2ccsc2Br)CC[N@H+]1CC(C)(C)O ZINC000330451269 563506163 /nfs/dbraw/zinc/50/61/63/563506163.db2.gz UMKRSOMBQFPZCX-NSHDSACASA-N 1 1 390.347 2.702 20 30 GFEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)[C@@H](C)C1 ZINC000330581896 563511560 /nfs/dbraw/zinc/51/15/60/563511560.db2.gz QTUBGWIQIGZVND-UWVGGRQHSA-N 1 1 392.244 2.660 20 30 GFEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)[C@H](C)C1 ZINC000331164994 563538389 /nfs/dbraw/zinc/53/83/89/563538389.db2.gz HMNOUULVKSIRTR-MNOVXSKESA-N 1 1 377.819 2.874 20 30 GFEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)[C@H](C)C1 ZINC000331193224 563539358 /nfs/dbraw/zinc/53/93/58/563539358.db2.gz RWGHUDRLUOGMKP-MNOVXSKESA-N 1 1 377.819 2.874 20 30 GFEDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410139932 563583049 /nfs/dbraw/zinc/58/30/49/563583049.db2.gz OARXHAVVLLRGEC-CYBMUJFWSA-N 1 1 375.416 2.730 20 30 GFEDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433872701 563621883 /nfs/dbraw/zinc/62/18/83/563621883.db2.gz ACMUVFPWTLVACJ-UHFFFAOYSA-N 1 1 397.298 2.584 20 30 GFEDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435153126 563643919 /nfs/dbraw/zinc/64/39/19/563643919.db2.gz FVPDMQMLAWKITR-ZDUSSCGKSA-N 1 1 375.416 2.730 20 30 GFEDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000289526565 563677340 /nfs/dbraw/zinc/67/73/40/563677340.db2.gz CRMONZPHEKMHFH-MLGOLLRUSA-N 1 1 393.285 2.648 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)cc1OC ZINC000365659731 563789847 /nfs/dbraw/zinc/78/98/47/563789847.db2.gz NSVCRVMFWHZVND-KBPBESRZSA-N 1 1 395.297 2.590 20 30 GFEDMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H]1C ZINC000449926967 564209756 /nfs/dbraw/zinc/20/97/56/564209756.db2.gz NIAYPAJJLLGFNU-ZDUSSCGKSA-N 1 1 380.286 2.504 20 30 GFEDMO CCOCC[N@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H]1C ZINC000449926967 564209761 /nfs/dbraw/zinc/20/97/61/564209761.db2.gz NIAYPAJJLLGFNU-ZDUSSCGKSA-N 1 1 380.286 2.504 20 30 GFEDMO Cc1[nH+]ccn1CCCN(C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450184244 564221073 /nfs/dbraw/zinc/22/10/73/564221073.db2.gz NDJORAGVIHIOLI-UHFFFAOYSA-N 1 1 391.269 2.753 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1Cl)c1ccccc1 ZINC000451003027 564262343 /nfs/dbraw/zinc/26/23/43/564262343.db2.gz UDCLCFIFJWNICR-QGZVFWFLSA-N 1 1 377.897 2.987 20 30 GFEDMO C[C@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CC[N@H+](C2CC2)C1 ZINC000452159545 564397079 /nfs/dbraw/zinc/39/70/79/564397079.db2.gz AAVIWVMNOVBTEC-CYBMUJFWSA-N 1 1 392.297 2.642 20 30 GFEDMO C=CCOCC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456376371 564603553 /nfs/dbraw/zinc/60/35/53/564603553.db2.gz SEBZNLWXMPYIOR-CYBMUJFWSA-N 1 1 382.302 2.731 20 30 GFEDMO N#CC1(NC(=O)C[NH+]2CCC(Oc3cccc(Br)c3)CC2)CCC1 ZINC000527377295 564741674 /nfs/dbraw/zinc/74/16/74/564741674.db2.gz FQPCMLRIWJUTOB-UHFFFAOYSA-N 1 1 392.297 2.855 20 30 GFEDMO N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528547810 564792965 /nfs/dbraw/zinc/79/29/65/564792965.db2.gz IYCINWRLJMRBRS-HNNXBMFYSA-N 1 1 398.326 2.616 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1Br ZINC000528556190 564794782 /nfs/dbraw/zinc/79/47/82/564794782.db2.gz ZKONRJIOIBWTGK-CQSZACIVSA-N 1 1 398.326 2.616 20 30 GFEDMO N#Cc1ccc(OCC(=O)NCc2c[nH+]c3n2CCCC3)cc1Br ZINC000562718540 565039633 /nfs/dbraw/zinc/03/96/33/565039633.db2.gz FGVXKFSRDMGFNL-UHFFFAOYSA-N 1 1 389.253 2.549 20 30 GFEDMO N#Cc1ccc(OCC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1Br ZINC000590666577 565196227 /nfs/dbraw/zinc/19/62/27/565196227.db2.gz UUWKYHQZTRICCW-CQSZACIVSA-N 1 1 392.297 2.833 20 30 GFEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)CC[C@@H]21 ZINC000593535097 565339526 /nfs/dbraw/zinc/33/95/26/565339526.db2.gz VHAZRWBZHFSJQG-PBHICJAKSA-N 1 1 376.298 2.806 20 30 GFEDMO C[C@@H]1CCN(S(=O)(=O)c2ccsc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000593552325 565340195 /nfs/dbraw/zinc/34/01/95/565340195.db2.gz FFFLPJCHABHINN-OAHLLOKOSA-N 1 1 375.519 2.905 20 30 GFEDMO C[C@@H]1CCN(S(=O)(=O)c2ccsc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000593552325 565340202 /nfs/dbraw/zinc/34/02/02/565340202.db2.gz FFFLPJCHABHINN-OAHLLOKOSA-N 1 1 375.519 2.905 20 30 GFEDMO C[N@@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2ccsc2C#N)CCC1 ZINC000593600241 565346521 /nfs/dbraw/zinc/34/65/21/565346521.db2.gz CSDWDCRLPVHFKF-UHFFFAOYSA-N 1 1 375.519 2.953 20 30 GFEDMO N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594484520 565394285 /nfs/dbraw/zinc/39/42/85/565394285.db2.gz ULHFKTDFCMMAKM-LSDHHAIUSA-N 1 1 398.326 2.616 20 30 GFEDMO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594485126 565394989 /nfs/dbraw/zinc/39/49/89/565394989.db2.gz WVLGEAUDYOYFRO-HUUCEWRRSA-N 1 1 398.326 2.616 20 30 GFEDMO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000594605932 565403586 /nfs/dbraw/zinc/40/35/86/565403586.db2.gz GZRYHULDMGRZDX-QGZVFWFLSA-N 1 1 375.270 2.794 20 30 GFEDMO Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000594605932 565403590 /nfs/dbraw/zinc/40/35/90/565403590.db2.gz GZRYHULDMGRZDX-QGZVFWFLSA-N 1 1 375.270 2.794 20 30 GFEDMO C[N@H+]1CCCC[C@H](CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000599416729 565676942 /nfs/dbraw/zinc/67/69/42/565676942.db2.gz XJCSONZKMKMAQM-GFCCVEGCSA-N 1 1 375.416 2.587 20 30 GFEDMO CC(C)[C@@H](C#N)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000609537800 566042520 /nfs/dbraw/zinc/04/25/20/566042520.db2.gz DTDTWVCWMOPHOZ-NVXWUHKLSA-N 1 1 386.323 2.899 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)Cc2cccc(Br)c2C)CC1 ZINC000655502550 566060808 /nfs/dbraw/zinc/06/08/08/566060808.db2.gz PIMZTCBRTDOBGP-UHFFFAOYSA-N 1 1 387.343 2.827 20 30 GFEDMO C[C@@H]1CN(Cc2ccccc2C#N)[C@@H](C)C[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC000826232506 607554043 /nfs/dbraw/zinc/55/40/43/607554043.db2.gz RRJUOGCUFZOUBD-DLBZAZTESA-N 1 1 387.491 2.833 20 30 GFEDMO C[C@@H]1CC(N=Nc2cc(-c3nn[nH]n3)cc(Cl)n2)C[N@H+]1Cc1ccccc1 ZINC000824857444 608537147 /nfs/dbraw/zinc/53/71/47/608537147.db2.gz BULNJROSCHGTRB-GFCCVEGCSA-N 1 1 382.859 2.977 20 30 GFEDMO N#Cc1cccc(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1F ZINC000826386454 608648989 /nfs/dbraw/zinc/64/89/89/608648989.db2.gz GBTBAROPHXFCAT-UHFFFAOYSA-N 1 1 377.427 2.590 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)Cc1c(C)[nH]c2ccc(Br)cc21 ZINC000818593347 660229350 /nfs/dbraw/zinc/22/93/50/660229350.db2.gz VGOJJSZCWVFDDG-UHFFFAOYSA-N 1 1 376.298 2.853 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000818609227 660230007 /nfs/dbraw/zinc/23/00/07/660230007.db2.gz PPBWDSBOJZWSMO-UHFFFAOYSA-N 1 1 394.244 2.928 20 30 GFEDMO CC(C)c1[nH+]ccn1CCNC(=O)COc1cccc(Br)c1C#N ZINC000825600412 660434775 /nfs/dbraw/zinc/43/47/75/660434775.db2.gz IPEUFBXGUMWEMF-UHFFFAOYSA-N 1 1 391.269 2.836 20 30 GFEDMO C#C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCOC)c1ccc(Br)cc1 ZINC000836316505 660899404 /nfs/dbraw/zinc/89/94/04/660899404.db2.gz QZDQWHDXSVFHDO-IAGOWNOFSA-N 1 1 394.313 2.533 20 30 GFEDMO N#CCNC(=O)C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000123960025 654767138 /nfs/dbraw/zinc/76/71/38/654767138.db2.gz ASOWBKAULRCKMW-QGZVFWFLSA-N 1 1 376.229 2.907 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(I)cc1C ZINC000838624414 661051292 /nfs/dbraw/zinc/05/12/92/661051292.db2.gz XUYOKCFKEXBTBD-UHFFFAOYSA-N 1 1 385.249 2.676 20 30 GFEDMO N#Cc1c(NC(=O)CC[N@H+]2CCS[C@@H]3COCC[C@@H]32)sc2c1CCC2 ZINC000135538629 655019760 /nfs/dbraw/zinc/01/97/60/655019760.db2.gz BQTALMXQDDCWIQ-GOEBONIOSA-N 1 1 377.535 2.643 20 30 GFEDMO CC[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1cc(Br)ccc1O ZINC000173992674 655188638 /nfs/dbraw/zinc/18/86/38/655188638.db2.gz MMWDTKPYMVTQOL-UHFFFAOYSA-N 1 1 393.285 2.633 20 30 GFEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000577963665 655470488 /nfs/dbraw/zinc/47/04/88/655470488.db2.gz JSWOJRJXWXSBRI-MRXNPFEDSA-N 1 1 375.519 2.557 20 30 GFEDMO CN1CCC([N@H+]2CC[C@H](NC(=S)Nc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000732722302 655600856 /nfs/dbraw/zinc/60/08/56/655600856.db2.gz YZVUZCQEXIXAJY-HNNXBMFYSA-N 1 1 377.945 2.667 20 30 GFEDMO C[NH+]1CCC(N2CC[C@H](NC(=S)Nc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000732722302 655600859 /nfs/dbraw/zinc/60/08/59/655600859.db2.gz YZVUZCQEXIXAJY-HNNXBMFYSA-N 1 1 377.945 2.667 20 30 GFEDMO CCOc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc(Br)c1O ZINC000753937400 655861171 /nfs/dbraw/zinc/86/11/71/655861171.db2.gz DIGKJYJZCFXKPU-BETUJISGSA-N 1 1 381.274 2.747 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000756541578 655901561 /nfs/dbraw/zinc/90/15/61/655901561.db2.gz IRZVDPUMZSXWKK-QGZVFWFLSA-N 1 1 388.265 2.889 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000756541578 655901563 /nfs/dbraw/zinc/90/15/63/655901563.db2.gz IRZVDPUMZSXWKK-QGZVFWFLSA-N 1 1 388.265 2.889 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cccc(F)c1I ZINC000770123980 656307154 /nfs/dbraw/zinc/30/71/54/656307154.db2.gz GKZGQDOINSUOIX-NSHDSACASA-N 1 1 387.192 2.685 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cccc(F)c1I ZINC000770123980 656307156 /nfs/dbraw/zinc/30/71/56/656307156.db2.gz GKZGQDOINSUOIX-NSHDSACASA-N 1 1 387.192 2.685 20 30 GFEDMO C#CCCC[N@@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785528757 657372410 /nfs/dbraw/zinc/37/24/10/657372410.db2.gz IOTRUPAEXLNPLG-UHFFFAOYSA-N 1 1 388.327 2.718 20 30 GFEDMO C#CCCC[N@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785528757 657372413 /nfs/dbraw/zinc/37/24/13/657372413.db2.gz IOTRUPAEXLNPLG-UHFFFAOYSA-N 1 1 388.327 2.718 20 30 GFEDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000787256161 657532405 /nfs/dbraw/zinc/53/24/05/657532405.db2.gz YVCPFXPJKNUGKQ-LBPRGKRZSA-N 1 1 380.286 2.928 20 30 GFEDMO C#C[C@@H](NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)C(C)(C)C ZINC000807535148 659858665 /nfs/dbraw/zinc/85/86/65/659858665.db2.gz CWZJBLRRKHTUBG-OAHLLOKOSA-N 1 1 394.313 2.613 20 30 GFEDMO C#CCNC(=O)CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000815064024 660108547 /nfs/dbraw/zinc/10/85/47/660108547.db2.gz KRWZXZIUOHOCNL-INIZCTEOSA-N 1 1 382.291 2.926 20 30 GFEDMO C#CC[N@H+](CC[C@H]1CCNC1=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000846804089 661566596 /nfs/dbraw/zinc/56/65/96/661566596.db2.gz IGPLIBAPFIEMQA-CZUORRHYSA-N 1 1 377.282 2.734 20 30 GFEDMO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000850369275 661773083 /nfs/dbraw/zinc/77/30/83/661773083.db2.gz SVTFBPZZEQYAMZ-SWLSCSKDSA-N 1 1 386.311 2.516 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000850827105 661792066 /nfs/dbraw/zinc/79/20/66/661792066.db2.gz VACNBIHKTNZIIQ-ZACQAIPSSA-N 1 1 393.281 2.563 20 30 GFEDMO C#CCC[N@@H+](CCOC)CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000853620921 661895334 /nfs/dbraw/zinc/89/53/34/661895334.db2.gz JQTBUIPLIKSULD-KRWDZBQOSA-N 1 1 379.298 2.694 20 30 GFEDMO C#CCC[N@H+](CCOC)CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000853620921 661895336 /nfs/dbraw/zinc/89/53/36/661895336.db2.gz JQTBUIPLIKSULD-KRWDZBQOSA-N 1 1 379.298 2.694 20 30 GFEDMO C=C(Cl)C[C@H]1NC(=O)N(C[C@H]2CSCC[N@H+]2Cc2ccccc2)C1=O ZINC000865306888 662411824 /nfs/dbraw/zinc/41/18/24/662411824.db2.gz KAWZXHVVRFXADQ-JKSUJKDBSA-N 1 1 379.913 2.667 20 30 GFEDMO C[C@@](O)(C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)C(F)F ZINC000886100600 663103223 /nfs/dbraw/zinc/10/32/23/663103223.db2.gz SDWHPQTVDYCCIN-GOEBONIOSA-N 1 1 388.256 2.647 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886803627 663119287 /nfs/dbraw/zinc/11/92/87/663119287.db2.gz LLKRODCZMGXTTF-XJKSGUPXSA-N 1 1 376.444 2.898 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886803627 663119288 /nfs/dbraw/zinc/11/92/88/663119288.db2.gz LLKRODCZMGXTTF-XJKSGUPXSA-N 1 1 376.444 2.898 20 30 GFEDMO CCCOc1c(Br)cc(C[NH2+][C@H]2CCCN(O)C2=O)cc1OC ZINC000895166265 663501642 /nfs/dbraw/zinc/50/16/42/663501642.db2.gz QBGCZZYNNOYGHI-ZDUSSCGKSA-N 1 1 387.274 2.716 20 30 GFEDMO CO[C@]1(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCOC1 ZINC000897054919 663588702 /nfs/dbraw/zinc/58/87/02/663588702.db2.gz LOTAVDOCEVQSQY-AEJSXWLSSA-N 1 1 383.279 2.895 20 30 GFEDMO COc1cc(C[NH2+]Cc2cc(C#N)ccc2Br)ccc1OCCO ZINC000921557648 664553391 /nfs/dbraw/zinc/55/33/91/664553391.db2.gz MPWRLDWUFZNABP-UHFFFAOYSA-N 1 1 391.265 2.990 20 30 GFEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000932209210 664813619 /nfs/dbraw/zinc/81/36/19/664813619.db2.gz SAVVZLODXLOLDA-WFASDCNBSA-N 1 1 380.286 2.870 20 30 GFEDMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3snc(Cl)c3C#N)C2)CC[N@H+]1C ZINC001043572866 665076349 /nfs/dbraw/zinc/07/63/49/665076349.db2.gz WRVSNLSKLUYHCM-ZMJPVWNMSA-N 1 1 381.933 2.657 20 30 GFEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)c(F)cc1C#N)C2 ZINC001164813129 720069940 /nfs/dbraw/zinc/06/99/40/720069940.db2.gz SQENKTDTJOAWKW-DNVCBOLYSA-N 1 1 378.879 2.930 20 30 GFEDMO CSc1nc(Cl)c(C#N)c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164724893 720327653 /nfs/dbraw/zinc/32/76/53/720327653.db2.gz LKJDRGOSOGIPCO-LSDHHAIUSA-N 1 1 386.912 2.972 20 30 GFEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cnc3C#N)CC[C@@H]21 ZINC001164835323 720519997 /nfs/dbraw/zinc/51/99/97/720519997.db2.gz JYWBGCYLDNFMQM-VYDXJSESSA-N 1 1 385.903 2.576 20 30 GFEDMO COc1cc(C#N)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164839593 720551472 /nfs/dbraw/zinc/55/14/72/720551472.db2.gz QROGTMCQWIXQMQ-IMFGXOCKSA-N 1 1 380.496 2.536 20 30 GFEDMO Cc1nc(C#N)cnc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164838265 720706175 /nfs/dbraw/zinc/70/61/75/720706175.db2.gz HQKYAJAIDRFIAR-HXUWFJFHSA-N 1 1 377.492 2.917 20 30 GFEDMO Cc1nc(C#N)cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836453 720727213 /nfs/dbraw/zinc/72/72/13/720727213.db2.gz AWESGNFSKSDILX-FQEVSTJZSA-N 1 1 377.492 2.917 20 30 GFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)ccc1C#N)CC2 ZINC001164790575 721454066 /nfs/dbraw/zinc/45/40/66/721454066.db2.gz ZSKBPZRJXBKKOV-NRFANRHFSA-N 1 1 398.551 2.996 20 30 GFEDMO N#C[C@@H](c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nn1)c1ccccc1F ZINC001165040208 721913214 /nfs/dbraw/zinc/91/32/14/721913214.db2.gz ZRCWGTDPVNHWMS-FUHWJXTLSA-N 1 1 381.455 2.572 20 30 GFEDMO N#Cc1cc2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc2[nH]1 ZINC001164984595 722137762 /nfs/dbraw/zinc/13/77/62/722137762.db2.gz XMWZYFJOQQWMHB-DYESRHJHSA-N 1 1 388.475 2.557 20 30 GFEDMO C[N@H+](CCOc1cccc(C#N)c1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000157751144 551542071 /nfs/dbraw/zinc/54/20/71/551542071.db2.gz AQTCHDQPYXFKTH-KRWDZBQOSA-N 1 1 388.265 2.858 20 30 GFEDMO C[N@@H+](CCOc1cccc(C#N)c1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000157751144 551542072 /nfs/dbraw/zinc/54/20/72/551542072.db2.gz AQTCHDQPYXFKTH-KRWDZBQOSA-N 1 1 388.265 2.858 20 30 GFEDMO COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000190461549 552496958 /nfs/dbraw/zinc/49/69/58/552496958.db2.gz NVIKUCRKKMJVPA-APPDUMDISA-N 1 1 380.286 2.917 20 30 GFEDMO COc1ccc(Br)cc1C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369608841 563218819 /nfs/dbraw/zinc/21/88/19/563218819.db2.gz JLLJJRNVJDLHKK-UHFFFAOYSA-N 1 1 376.258 2.758 20 30 GFEDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278797089 563270907 /nfs/dbraw/zinc/27/09/07/563270907.db2.gz MPZFNDKCSVLAHV-UHFFFAOYSA-N 1 1 397.298 2.537 20 30 GFEDMO COC(=O)c1cc(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)ccc1Br ZINC000330861970 563524780 /nfs/dbraw/zinc/52/47/80/563524780.db2.gz SMNLYCDXICSBFL-QWRGUYRKSA-N 1 1 384.274 2.806 20 30 GFEDMO Cc1cccc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1Br ZINC000330974085 563530429 /nfs/dbraw/zinc/53/04/29/563530429.db2.gz VAGYQHSIDFDMPW-CQSZACIVSA-N 1 1 398.345 2.949 20 30 GFEDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(F)c(Br)cc2F)[C@H](C)C1 ZINC000331206136 563540049 /nfs/dbraw/zinc/54/00/49/563540049.db2.gz ZKNHUACLLAJGOX-NXEZZACHSA-N 1 1 392.244 2.660 20 30 GFEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cc(F)c(Br)cc2F)[C@H](C)C1 ZINC000331206136 563540051 /nfs/dbraw/zinc/54/00/51/563540051.db2.gz ZKNHUACLLAJGOX-NXEZZACHSA-N 1 1 392.244 2.660 20 30 GFEDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408007807 563540961 /nfs/dbraw/zinc/54/09/61/563540961.db2.gz JLKMGXVNAKLVLH-CHWSQXEVSA-N 1 1 398.326 2.568 20 30 GFEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cccc(C#N)c1Br ZINC000331304912 563545351 /nfs/dbraw/zinc/54/53/51/563545351.db2.gz FUPHKHSGGIGQAF-CYBMUJFWSA-N 1 1 379.302 2.651 20 30 GFEDMO Cc1nc(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c(Br)s1 ZINC000331358429 563547233 /nfs/dbraw/zinc/54/72/33/563547233.db2.gz VEMRMUCIUPHCEH-NSHDSACASA-N 1 1 376.320 2.875 20 30 GFEDMO C=CCOc1ccc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)cc1Cl ZINC000414475294 563743547 /nfs/dbraw/zinc/74/35/47/563743547.db2.gz ZYCRFYYGJICPQK-UHFFFAOYSA-N 1 1 384.929 2.905 20 30 GFEDMO Cc1cc(Br)ccc1C[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000444696116 563835303 /nfs/dbraw/zinc/83/53/03/563835303.db2.gz HBEXTLOBLHSRBY-UHFFFAOYSA-N 1 1 377.286 2.845 20 30 GFEDMO Cc1cc(Br)ccc1C[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000444696116 563835307 /nfs/dbraw/zinc/83/53/07/563835307.db2.gz HBEXTLOBLHSRBY-UHFFFAOYSA-N 1 1 377.286 2.845 20 30 GFEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000449636043 564192908 /nfs/dbraw/zinc/19/29/08/564192908.db2.gz ZCXAOGGUYAUXQF-CYBMUJFWSA-N 1 1 380.286 2.548 20 30 GFEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)COc3cccc(Br)c3C#N)CC[C@@H]21 ZINC000450144996 564219330 /nfs/dbraw/zinc/21/93/30/564219330.db2.gz HUSQBJLAYHBJOY-CJNGLKHVSA-N 1 1 392.297 2.642 20 30 GFEDMO CCC[N@@H+](C)[C@@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000509623042 564305587 /nfs/dbraw/zinc/30/55/87/564305587.db2.gz DGGFWEPQFQRRCG-PBHICJAKSA-N 1 1 386.949 2.649 20 30 GFEDMO N#Cc1csc(CNCCC[NH+]2CCN(c3ccccc3Cl)CC2)n1 ZINC000568804495 564435574 /nfs/dbraw/zinc/43/55/74/564435574.db2.gz ZOYQOOPOLCIQID-UHFFFAOYSA-N 1 1 375.929 2.970 20 30 GFEDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000546731907 564466170 /nfs/dbraw/zinc/46/61/70/564466170.db2.gz MGOIVZSSYVJIMQ-ZDUSSCGKSA-N 1 1 375.416 2.587 20 30 GFEDMO C[NH+]1CCC(C#N)(NC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)CC1 ZINC000516528853 564504226 /nfs/dbraw/zinc/50/42/26/564504226.db2.gz GQUPRHIJNUBFNN-UHFFFAOYSA-N 1 1 378.263 2.897 20 30 GFEDMO CC(=O)NCC[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccsc1 ZINC000572544130 564600082 /nfs/dbraw/zinc/60/00/82/564600082.db2.gz CFXACAFKKOMGIG-UHFFFAOYSA-N 1 1 376.507 2.648 20 30 GFEDMO C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)CSCC#N ZINC000456354845 564601751 /nfs/dbraw/zinc/60/17/51/564601751.db2.gz BHKNCYYLTTYNTF-GFCCVEGCSA-N 1 1 397.342 2.785 20 30 GFEDMO CC[N@H+](CCNS(=O)(=O)c1ccc(C#N)cc1Cl)CCC(F)(F)F ZINC000494403779 564828802 /nfs/dbraw/zinc/82/88/02/564828802.db2.gz HQYXBQBMXCOKQG-UHFFFAOYSA-N 1 1 383.823 2.764 20 30 GFEDMO CC[N@@H+](CCNS(=O)(=O)c1ccc(C#N)cc1Cl)CCC(F)(F)F ZINC000494403779 564828803 /nfs/dbraw/zinc/82/88/03/564828803.db2.gz HQYXBQBMXCOKQG-UHFFFAOYSA-N 1 1 383.823 2.764 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000558780674 564914554 /nfs/dbraw/zinc/91/45/54/564914554.db2.gz FLLKABCGIYXDPK-INIZCTEOSA-N 1 1 381.860 2.932 20 30 GFEDMO C=CCCCN(C)C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467215560 564958470 /nfs/dbraw/zinc/95/84/70/564958470.db2.gz HEGJRRZPBBGTLT-UHFFFAOYSA-N 1 1 382.302 2.874 20 30 GFEDMO C=CCN1CC[C@@H]([N@H+](C)CC2=Cc3cc(Br)ccc3OC2)C1=O ZINC000467517622 564966402 /nfs/dbraw/zinc/96/64/02/564966402.db2.gz GYQBSYWQAVMMHO-MRXNPFEDSA-N 1 1 377.282 2.944 20 30 GFEDMO C=CCN1CC[C@@H]([N@@H+](C)CC2=Cc3cc(Br)ccc3OC2)C1=O ZINC000467517622 564966404 /nfs/dbraw/zinc/96/64/04/564966404.db2.gz GYQBSYWQAVMMHO-MRXNPFEDSA-N 1 1 377.282 2.944 20 30 GFEDMO N#Cc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1Br ZINC000588313421 565133575 /nfs/dbraw/zinc/13/35/75/565133575.db2.gz FLJBHSVXZRDHSW-OAHLLOKOSA-N 1 1 393.285 2.649 20 30 GFEDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)CC[C@@H]21 ZINC000593535100 565339579 /nfs/dbraw/zinc/33/95/79/565339579.db2.gz VHAZRWBZHFSJQG-YOEHRIQHSA-N 1 1 376.298 2.806 20 30 GFEDMO CC(C)C[N@@H+](C)CCCNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000593616363 565347148 /nfs/dbraw/zinc/34/71/48/565347148.db2.gz LLMUOXXRLVKBQW-UHFFFAOYSA-N 1 1 377.432 2.833 20 30 GFEDMO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)cc1 ZINC000595828178 565492204 /nfs/dbraw/zinc/49/22/04/565492204.db2.gz IPPNSZNYSLFPEB-CXAGYDPISA-N 1 1 381.259 2.928 20 30 GFEDMO N#CC1(C[C@H](O)C[N@@H+]2CCc3cccc(Br)c3C2)CCOCC1 ZINC000599303960 565668630 /nfs/dbraw/zinc/66/86/30/565668630.db2.gz NRGXALFTQUQXKT-HNNXBMFYSA-N 1 1 379.298 2.879 20 30 GFEDMO N#CC1(C[C@H](O)C[N@H+]2CCc3cccc(Br)c3C2)CCOCC1 ZINC000599303960 565668636 /nfs/dbraw/zinc/66/86/36/565668636.db2.gz NRGXALFTQUQXKT-HNNXBMFYSA-N 1 1 379.298 2.879 20 30 GFEDMO C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC000627734437 565749858 /nfs/dbraw/zinc/74/98/58/565749858.db2.gz SRVNZLCQCAUCHM-CYBMUJFWSA-N 1 1 394.313 2.874 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671106794 565752010 /nfs/dbraw/zinc/75/20/10/565752010.db2.gz JIOHUXPZDLSYTO-ZIAGYGMSSA-N 1 1 381.929 2.659 20 30 GFEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C[C@H](C)N1CC#N ZINC000602854335 565870856 /nfs/dbraw/zinc/87/08/56/565870856.db2.gz BSZJSPSLVBUWBO-BETUJISGSA-N 1 1 397.292 2.835 20 30 GFEDMO Cc1cc(C)c(-c2nn[nH]n2)c(N2CCC(Oc3ccc(C#N)cc3)CC2)[nH+]1 ZINC000737247028 598756339 /nfs/dbraw/zinc/75/63/39/598756339.db2.gz XQSBDZURPBQOPS-UHFFFAOYSA-N 1 1 375.436 2.798 20 30 GFEDMO C#CC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1CCc2ccccc21 ZINC000819702292 599635703 /nfs/dbraw/zinc/63/57/03/599635703.db2.gz XMAQIOFGDGJZPF-FQEVSTJZSA-N 1 1 386.459 2.818 20 30 GFEDMO COc1ccc(C#N)cc1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826186982 607526475 /nfs/dbraw/zinc/52/64/75/607526475.db2.gz TVVZCGCBNPPYMN-UHFFFAOYSA-N 1 1 390.447 2.790 20 30 GFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)[C@@H](C)CN1Cc1ccccc1C#N ZINC000826232507 607553512 /nfs/dbraw/zinc/55/35/12/607553512.db2.gz RRJUOGCUFZOUBD-SJORKVTESA-N 1 1 387.491 2.833 20 30 GFEDMO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000824762192 609140534 /nfs/dbraw/zinc/14/05/34/609140534.db2.gz FDVQEUNBBMNJDG-MGPUTAFESA-N 1 1 391.454 2.949 20 30 GFEDMO CC(C)N1CC[NH+](CCCOC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000837816007 661017465 /nfs/dbraw/zinc/01/74/65/661017465.db2.gz BWRJUSNPTYDDIW-UHFFFAOYSA-N 1 1 394.313 2.894 20 30 GFEDMO C[N@@H+](CCc1ccc(Br)cc1)CC(=O)N(CCC#N)CCC#N ZINC000106861829 655112676 /nfs/dbraw/zinc/11/26/76/655112676.db2.gz GPTMRCWFDDUUFY-UHFFFAOYSA-N 1 1 377.286 2.579 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000119969427 655323355 /nfs/dbraw/zinc/32/33/55/655323355.db2.gz HZCKVEAWQNDDSB-INIZCTEOSA-N 1 1 375.519 2.810 20 30 GFEDMO C=CC[N@@H+](CCCOC(=O)NC(N)=O)Cc1cc(Br)ccc1F ZINC000180458140 655326941 /nfs/dbraw/zinc/32/69/41/655326941.db2.gz BQVFNTIYBDUHAM-UHFFFAOYSA-N 1 1 388.237 2.771 20 30 GFEDMO C=CC[N@H+](CCCOC(=O)NC(N)=O)Cc1cc(Br)ccc1F ZINC000180458140 655326942 /nfs/dbraw/zinc/32/69/42/655326942.db2.gz BQVFNTIYBDUHAM-UHFFFAOYSA-N 1 1 388.237 2.771 20 30 GFEDMO C#CCC[NH+]1CCN(C(=O)Cc2c(C)[nH]c3ccc(Br)cc32)CC1 ZINC000744366199 655739458 /nfs/dbraw/zinc/73/94/58/655739458.db2.gz HHMQCNHJFKOFNF-UHFFFAOYSA-N 1 1 388.309 2.949 20 30 GFEDMO C=CCN1CC(=O)N(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1=O ZINC000761927318 656024794 /nfs/dbraw/zinc/02/47/94/656024794.db2.gz HUFYSRPNAVBTOY-UHFFFAOYSA-N 1 1 392.297 2.864 20 30 GFEDMO C[NH+]1CCN(CCC(C)(C)NC(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000769763821 656290497 /nfs/dbraw/zinc/29/04/97/656290497.db2.gz JWAXKAHHMCDSNZ-UHFFFAOYSA-N 1 1 379.961 2.914 20 30 GFEDMO C[NH+]1CCN(c2ncc(C=[NH+][N-]c3ccc(Br)c(F)c3)cn2)CC1 ZINC000769829856 656293902 /nfs/dbraw/zinc/29/39/02/656293902.db2.gz URKUCRACYKRNDA-UHFFFAOYSA-N 1 1 393.264 2.576 20 30 GFEDMO Cc1cc(Br)cn2c(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)cnc12 ZINC000783864736 657266589 /nfs/dbraw/zinc/26/65/89/657266589.db2.gz ZJQSJTKAAUDHMX-KBPBESRZSA-N 1 1 375.274 2.599 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnn(-c2ccccc2)c1Br ZINC000791799405 658180191 /nfs/dbraw/zinc/18/01/91/658180191.db2.gz CYTNKFZUFIKXPS-HNNXBMFYSA-N 1 1 388.265 2.889 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnn(-c2ccccc2)c1Br ZINC000791799405 658180210 /nfs/dbraw/zinc/18/02/10/658180210.db2.gz CYTNKFZUFIKXPS-HNNXBMFYSA-N 1 1 388.265 2.889 20 30 GFEDMO C#CCC[NH+]1CCN(C(=O)c2cc(I)c(C)cc2C)CC1 ZINC000793329549 658386154 /nfs/dbraw/zinc/38/61/54/658386154.db2.gz VDAVUIIQVXEYKD-UHFFFAOYSA-N 1 1 396.272 2.689 20 30 GFEDMO CCCOc1ccc(Br)cc1C=NNCCC[NH+]1CCOCC1 ZINC000799488695 659193884 /nfs/dbraw/zinc/19/38/84/659193884.db2.gz IOSQOSQHSGOOMY-UHFFFAOYSA-N 1 1 384.318 2.884 20 30 GFEDMO C#CCNC(=O)CC[N@@H+](Cc1ccc(C)cc1Br)C[C@@H]1CCCO1 ZINC000815106481 660112740 /nfs/dbraw/zinc/11/27/40/660112740.db2.gz ALZLBXNUPUIAII-KRWDZBQOSA-N 1 1 393.325 2.878 20 30 GFEDMO C#CCNC(=O)CC[N@H+](Cc1ccc(C)cc1Br)C[C@@H]1CCCO1 ZINC000815106481 660112742 /nfs/dbraw/zinc/11/27/42/660112742.db2.gz ALZLBXNUPUIAII-KRWDZBQOSA-N 1 1 393.325 2.878 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Br)cc1C(C)C ZINC000815860955 660133217 /nfs/dbraw/zinc/13/32/17/660133217.db2.gz JTXCGGLQRBAHGY-UHFFFAOYSA-N 1 1 394.313 2.582 20 30 GFEDMO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366142 661417570 /nfs/dbraw/zinc/41/75/70/661417570.db2.gz HJKRASWZLWPGQK-INIZCTEOSA-N 1 1 377.897 2.897 20 30 GFEDMO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366142 661417582 /nfs/dbraw/zinc/41/75/82/661417582.db2.gz HJKRASWZLWPGQK-INIZCTEOSA-N 1 1 377.897 2.897 20 30 GFEDMO Cc1cccc(Br)c1[N-][NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000844615970 661429904 /nfs/dbraw/zinc/42/99/04/661429904.db2.gz GKIPUMXSLIAXHS-UHFFFAOYSA-N 1 1 389.301 2.745 20 30 GFEDMO C[C@]1(CNS(=O)(=O)c2ccsc2C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000845927905 661507219 /nfs/dbraw/zinc/50/72/19/661507219.db2.gz YERAYQGHSRRDFQ-GOSISDBHSA-N 1 1 375.519 2.810 20 30 GFEDMO C#C[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000848492816 661655946 /nfs/dbraw/zinc/65/59/46/661655946.db2.gz GRBCWXFOTAJIFA-UGSOOPFHSA-N 1 1 390.281 2.519 20 30 GFEDMO C#C[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000848492816 661655952 /nfs/dbraw/zinc/65/59/52/661655952.db2.gz GRBCWXFOTAJIFA-UGSOOPFHSA-N 1 1 390.281 2.519 20 30 GFEDMO C#C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000848492807 661656022 /nfs/dbraw/zinc/65/60/22/661656022.db2.gz GRBCWXFOTAJIFA-ACJLOTCBSA-N 1 1 390.281 2.519 20 30 GFEDMO C#C[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000848492807 661656030 /nfs/dbraw/zinc/65/60/30/661656030.db2.gz GRBCWXFOTAJIFA-ACJLOTCBSA-N 1 1 390.281 2.519 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000850827104 661792217 /nfs/dbraw/zinc/79/22/17/661792217.db2.gz VACNBIHKTNZIIQ-BBWFWOEESA-N 1 1 393.281 2.563 20 30 GFEDMO C[N@@H+](CCn1cc(C#N)c(I)n1)Cc1ccc(F)cc1 ZINC000853726127 661898683 /nfs/dbraw/zinc/89/86/83/661898683.db2.gz UVFIVKRUJRTXKK-UHFFFAOYSA-N 1 1 384.196 2.630 20 30 GFEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC000862447593 662288236 /nfs/dbraw/zinc/28/82/36/662288236.db2.gz OUXNDICTOQXUQT-ZIAGYGMSSA-N 1 1 379.298 2.808 20 30 GFEDMO Cn1ncc(I)c1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000865868509 662448600 /nfs/dbraw/zinc/44/86/00/662448600.db2.gz KUGNOQZBNXXQNS-UHFFFAOYSA-N 1 1 392.244 2.870 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867807835 662578011 /nfs/dbraw/zinc/57/80/11/662578011.db2.gz DYUDBMQMOXPMLT-GOEBONIOSA-N 1 1 375.519 2.796 20 30 GFEDMO C#CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](c2ccc(Br)cc2)C1)C(=O)OC ZINC000877584249 662879376 /nfs/dbraw/zinc/87/93/76/662879376.db2.gz YDBRSVDEYSPCDN-YESZJQIVSA-N 1 1 379.298 2.739 20 30 GFEDMO C#CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](c2ccc(Br)cc2)C1)C(=O)OC ZINC000877584249 662879378 /nfs/dbraw/zinc/87/93/78/662879378.db2.gz YDBRSVDEYSPCDN-YESZJQIVSA-N 1 1 379.298 2.739 20 30 GFEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2cc(OC)c(OC)cc2Br)C1 ZINC000890374895 663298058 /nfs/dbraw/zinc/29/80/58/663298058.db2.gz OKDGAVMDBSDYGS-LBPRGKRZSA-N 1 1 396.285 2.685 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(OC)c(OC)cc2Br)C1 ZINC000890374895 663298060 /nfs/dbraw/zinc/29/80/60/663298060.db2.gz OKDGAVMDBSDYGS-LBPRGKRZSA-N 1 1 396.285 2.685 20 30 GFEDMO Cn1cc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c(I)n1 ZINC000894588656 663470350 /nfs/dbraw/zinc/47/03/50/663470350.db2.gz AKAAQEBGEBDSIO-AWEZNQCLSA-N 1 1 378.217 2.673 20 30 GFEDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907066926 663999258 /nfs/dbraw/zinc/99/92/58/663999258.db2.gz QMYLPYIWNQYSMX-UHFFFAOYSA-N 1 1 397.298 2.537 20 30 GFEDMO C[C@H](CCNS(=O)(=O)Cc1csc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000914214418 664386515 /nfs/dbraw/zinc/38/65/15/664386515.db2.gz ZRMFOQQSQJSICY-OAHLLOKOSA-N 1 1 377.535 2.950 20 30 GFEDMO C#CC[C@@H](COC)[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000922299178 664593912 /nfs/dbraw/zinc/59/39/12/664593912.db2.gz NGKAJYMPMCUGRC-VIFPVBQESA-N 1 1 379.096 2.556 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2cccc(Br)c2COC)C1 ZINC000930084781 664762493 /nfs/dbraw/zinc/76/24/93/664762493.db2.gz CNFFSJHWWVJNBR-CYBMUJFWSA-N 1 1 380.286 2.815 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(Br)c2COC)C1 ZINC000930084781 664762494 /nfs/dbraw/zinc/76/24/94/664762494.db2.gz CNFFSJHWWVJNBR-CYBMUJFWSA-N 1 1 380.286 2.815 20 30 GFEDMO FC1(F)[C@H]2C[N@@H+](CCO[C@@H]3CCOC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932942549 664843597 /nfs/dbraw/zinc/84/35/97/664843597.db2.gz ZRRNILGIRXVICP-BBBLOLIVSA-N 1 1 383.279 2.895 20 30 GFEDMO OC1(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCOCC1 ZINC000932945174 664844055 /nfs/dbraw/zinc/84/40/55/664844055.db2.gz SBJSISNJNZLJKW-DTORHVGOSA-N 1 1 383.279 2.631 20 30 GFEDMO C=CCCC[N@@H+](CC)CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000934652416 664913830 /nfs/dbraw/zinc/91/38/30/664913830.db2.gz ZUZUVJONLHVWCE-MRXNPFEDSA-N 1 1 384.567 2.552 20 30 GFEDMO C=CCCC[N@H+](CC)CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000934652416 664913831 /nfs/dbraw/zinc/91/38/31/664913831.db2.gz ZUZUVJONLHVWCE-MRXNPFEDSA-N 1 1 384.567 2.552 20 30 GFEDMO COc1nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)ncc1C#N ZINC001164692757 719806056 /nfs/dbraw/zinc/80/60/56/719806056.db2.gz PCNGQYWDXHYSQV-UHFFFAOYSA-N 1 1 384.509 2.757 20 30 GFEDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc4c(cc3C#N)CCCC4(C)C)CC[C@@H]2C1 ZINC001164853005 720890048 /nfs/dbraw/zinc/89/00/48/720890048.db2.gz BJMMBJTZLAJXAE-UYAOXDASSA-N 1 1 398.551 2.741 20 30 GFEDMO CC(C)N(C)Cc1cnc2n1CCN(c1ncc3c(c1C#N)CCC[NH2+]C3)[C@@H]2C ZINC001164862566 720921320 /nfs/dbraw/zinc/92/13/20/720921320.db2.gz WIJQSEQIFPEUAT-MRXNPFEDSA-N 1 1 393.539 2.607 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5c(cc4C#N)CCCC5)C[C@@H]3C2)cn1 ZINC001164763301 721196987 /nfs/dbraw/zinc/19/69/87/721196987.db2.gz FGRICAZYZUJFET-ICSRJNTNSA-N 1 1 376.508 2.524 20 30 GFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001164778821 721330883 /nfs/dbraw/zinc/33/08/83/721330883.db2.gz YOSWHFQBHHYBEN-OAQYLSRUSA-N 1 1 381.480 2.677 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(Cl)c(C#N)n2)[C@@H]2CCCO[C@H]12 ZINC001164802450 721532306 /nfs/dbraw/zinc/53/23/06/721532306.db2.gz GJWZGYLWGHGXQZ-GGPKGHCWSA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3C#N)C[C@@H]21 ZINC001165018942 721809218 /nfs/dbraw/zinc/80/92/18/721809218.db2.gz BBKYWKNIEOFERP-RYGJVYDSSA-N 1 1 392.463 2.993 20 30 GFEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nn2)cc1 ZINC001165037908 721901835 /nfs/dbraw/zinc/90/18/35/721901835.db2.gz NRVXTBQYRDTOKC-PMACEKPBSA-N 1 1 377.492 2.742 20 30 GFEDMO N#Cc1cc(Cl)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977330 722111335 /nfs/dbraw/zinc/11/13/35/722111335.db2.gz MOAPSMWKGPGQSB-VQIMIIECSA-N 1 1 383.883 2.729 20 30 GFEDMO N#Cc1cc(Cl)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982778 722134265 /nfs/dbraw/zinc/13/42/65/722134265.db2.gz SIJUNJBGLUIKBU-VQIMIIECSA-N 1 1 383.883 2.729 20 30 GFEDMO N#Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1Cl ZINC000121580845 551237712 /nfs/dbraw/zinc/23/77/12/551237712.db2.gz DWRNUJPCMVYCGH-ACJLOTCBSA-N 1 1 379.913 2.849 20 30 GFEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@H]3CSCCS3)CC2)cc1 ZINC000153295033 551450067 /nfs/dbraw/zinc/45/00/67/551450067.db2.gz XDDOHHJTXJBBSM-SFHVURJKSA-N 1 1 375.563 2.831 20 30 GFEDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000178946720 552180284 /nfs/dbraw/zinc/18/02/84/552180284.db2.gz QZPHCKYZHRHXCO-MSOLQXFVSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000178946720 552180287 /nfs/dbraw/zinc/18/02/87/552180287.db2.gz QZPHCKYZHRHXCO-MSOLQXFVSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@H](CNS(=O)(=O)Cc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000369538091 563216549 /nfs/dbraw/zinc/21/65/49/563216549.db2.gz ALOSPXCMHLURJV-SJLPKXTDSA-N 1 1 375.519 2.732 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C(=O)NC)C2)cc1OC ZINC000421367799 563308530 /nfs/dbraw/zinc/30/85/30/563308530.db2.gz ACLBLCNWMCJZNP-ZDUSSCGKSA-N 1 1 383.286 2.590 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000297842961 563337717 /nfs/dbraw/zinc/33/77/17/563337717.db2.gz NCXILBRTWUFYIF-CQSZACIVSA-N 1 1 383.945 2.716 20 30 GFEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000282022298 563394500 /nfs/dbraw/zinc/39/45/00/563394500.db2.gz KJNAPIOBGAHFIG-PBHICJAKSA-N 1 1 380.286 2.917 20 30 GFEDMO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000324112532 563451560 /nfs/dbraw/zinc/45/15/60/563451560.db2.gz GOUZYLNIWLARRZ-OAHLLOKOSA-N 1 1 375.519 2.762 20 30 GFEDMO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000324112532 563451563 /nfs/dbraw/zinc/45/15/63/563451563.db2.gz GOUZYLNIWLARRZ-OAHLLOKOSA-N 1 1 375.519 2.762 20 30 GFEDMO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CC[N@H+]1C ZINC000329731398 563486838 /nfs/dbraw/zinc/48/68/38/563486838.db2.gz PSUARJQHHNWRTA-RBSFLKMASA-N 1 1 385.555 2.731 20 30 GFEDMO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330267796 563499740 /nfs/dbraw/zinc/49/97/40/563499740.db2.gz QSHPHJRSJBZURU-ZDUSSCGKSA-N 1 1 381.274 2.517 20 30 GFEDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000330897467 563526183 /nfs/dbraw/zinc/52/61/83/563526183.db2.gz UHFUMQNJQIEBEY-QWRGUYRKSA-N 1 1 375.441 2.598 20 30 GFEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Br)c(F)c1 ZINC000331291360 563544508 /nfs/dbraw/zinc/54/45/08/563544508.db2.gz KQZDGYJWBXZHPV-LLVKDONJSA-N 1 1 388.281 2.911 20 30 GFEDMO N#Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000333199010 563624024 /nfs/dbraw/zinc/62/40/24/563624024.db2.gz YEEUUHKAYIPAJN-OAHLLOKOSA-N 1 1 398.326 2.616 20 30 GFEDMO N#Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000333199010 563624025 /nfs/dbraw/zinc/62/40/25/563624025.db2.gz YEEUUHKAYIPAJN-OAHLLOKOSA-N 1 1 398.326 2.616 20 30 GFEDMO CCCNC(=O)C[NH+]1CCC(Nc2cccc(Br)c2C#N)CC1 ZINC000439958606 563733386 /nfs/dbraw/zinc/73/33/86/563733386.db2.gz SDIVPRAWYICOQO-UHFFFAOYSA-N 1 1 379.302 2.723 20 30 GFEDMO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000416385927 563821365 /nfs/dbraw/zinc/82/13/65/563821365.db2.gz KBHXBPMRINNXGA-CQSZACIVSA-N 1 1 398.326 2.616 20 30 GFEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)COc2cccc(Br)c2C#N)C1 ZINC000449992264 564212456 /nfs/dbraw/zinc/21/24/56/564212456.db2.gz XLPZZEGAOWRDJY-AWEZNQCLSA-N 1 1 394.313 2.890 20 30 GFEDMO N#Cc1cc(Br)cnc1NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000450347038 564228634 /nfs/dbraw/zinc/22/86/34/564228634.db2.gz INAZQLDDDQAONA-GOSISDBHSA-N 1 1 387.281 2.765 20 30 GFEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CSc2cccc(Cl)c2C#N)C1 ZINC000542103665 564301385 /nfs/dbraw/zinc/30/13/85/564301385.db2.gz XMIIEICBBKFJEW-CQSZACIVSA-N 1 1 381.929 2.777 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451899379 564363689 /nfs/dbraw/zinc/36/36/89/564363689.db2.gz YUFUOXHSWSYYDO-YDHLFZDLSA-N 1 1 376.444 2.896 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451899379 564363693 /nfs/dbraw/zinc/36/36/93/564363693.db2.gz YUFUOXHSWSYYDO-YDHLFZDLSA-N 1 1 376.444 2.896 20 30 GFEDMO Cc1ccc2c(ncc(C#N)c2N2CC[N@@H+](CCO)[C@@H](C)C2)c1Br ZINC000480195858 564463265 /nfs/dbraw/zinc/46/32/65/564463265.db2.gz ITQCSRJXDIFJCJ-ZDUSSCGKSA-N 1 1 389.297 2.680 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000573959024 564662054 /nfs/dbraw/zinc/66/20/54/564662054.db2.gz FLBMEOAIPZKFRD-QWHCGFSZSA-N 1 1 381.929 2.658 20 30 GFEDMO N#Cc1ccc(NC2CC[NH+](Cc3cccc(Br)c3)CC2)nc1N ZINC000574171454 564670921 /nfs/dbraw/zinc/67/09/21/564670921.db2.gz WZDFTFWSGNDAER-UHFFFAOYSA-N 1 1 386.297 2.796 20 30 GFEDMO C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@H+](CC)CC1 ZINC000576196394 564707248 /nfs/dbraw/zinc/70/72/48/564707248.db2.gz QAAAVTRIKQPDRF-UHFFFAOYSA-N 1 1 393.333 2.764 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000489274790 564734257 /nfs/dbraw/zinc/73/42/57/564734257.db2.gz GIJCDTUTGFVEHC-UHFFFAOYSA-N 1 1 382.379 2.653 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1cncc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000528546432 564793176 /nfs/dbraw/zinc/79/31/76/564793176.db2.gz KYTDTQQSCKDETG-INIZCTEOSA-N 1 1 399.303 2.841 20 30 GFEDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000462670390 564853951 /nfs/dbraw/zinc/85/39/51/564853951.db2.gz YNMLRENUGAITPB-ZDUSSCGKSA-N 1 1 375.416 2.539 20 30 GFEDMO N#Cc1sccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000593536293 565339584 /nfs/dbraw/zinc/33/95/84/565339584.db2.gz PYXZRBNMIQLKMI-MRXNPFEDSA-N 1 1 375.519 2.810 20 30 GFEDMO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000594605931 565403441 /nfs/dbraw/zinc/40/34/41/565403441.db2.gz GZRYHULDMGRZDX-KRWDZBQOSA-N 1 1 375.270 2.794 20 30 GFEDMO Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000594605931 565403443 /nfs/dbraw/zinc/40/34/43/565403443.db2.gz GZRYHULDMGRZDX-KRWDZBQOSA-N 1 1 375.270 2.794 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000594763328 565416303 /nfs/dbraw/zinc/41/63/03/565416303.db2.gz OGYUMQXXYHNANZ-FZMZJTMJSA-N 1 1 375.519 2.985 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000594763328 565416307 /nfs/dbraw/zinc/41/63/07/565416307.db2.gz OGYUMQXXYHNANZ-FZMZJTMJSA-N 1 1 375.519 2.985 20 30 GFEDMO N#Cc1ccc(CCNC(=O)c2sc3c(c2Br)C[NH2+]C3)cc1 ZINC000595255899 565459528 /nfs/dbraw/zinc/45/95/28/565459528.db2.gz JTAWBMANFROJKH-UHFFFAOYSA-N 1 1 376.279 2.958 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000599542264 565688272 /nfs/dbraw/zinc/68/82/72/565688272.db2.gz RVEXIINBOAUUDQ-DTWKUNHWSA-N 1 1 390.228 2.778 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)CCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000601481125 565786893 /nfs/dbraw/zinc/78/68/93/565786893.db2.gz RMYPRDOKYBISHM-OAHLLOKOSA-N 1 1 377.432 2.921 20 30 GFEDMO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736198111 599313731 /nfs/dbraw/zinc/31/37/31/599313731.db2.gz FUTIDTKACGDIDK-AWEZNQCLSA-N 1 1 377.427 2.761 20 30 GFEDMO C[C@H](CN(C)Cc1cccc(C#N)c1)C[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736003079 599444362 /nfs/dbraw/zinc/44/43/62/599444362.db2.gz VYTCRFLAKYVHGI-QGZVFWFLSA-N 1 1 389.507 2.938 20 30 GFEDMO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000735418442 599505742 /nfs/dbraw/zinc/50/57/42/599505742.db2.gz FDCADBKFXMPYTB-IBGZPJMESA-N 1 1 397.527 2.829 20 30 GFEDMO C[C@H](CC#N)[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000820219373 606660357 /nfs/dbraw/zinc/66/03/57/606660357.db2.gz FPGADIVUJJOLDY-GFCCVEGCSA-N 1 1 387.513 2.760 20 30 GFEDMO C[C@H](CC#N)[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000820219373 606660358 /nfs/dbraw/zinc/66/03/58/606660358.db2.gz FPGADIVUJJOLDY-GFCCVEGCSA-N 1 1 387.513 2.760 20 30 GFEDMO N#Cc1cc(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)ccc1F ZINC000822819332 606964544 /nfs/dbraw/zinc/96/45/44/606964544.db2.gz PYXJOGRDYFHYCH-UHFFFAOYSA-N 1 1 377.427 2.590 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000818603202 660229954 /nfs/dbraw/zinc/22/99/54/660229954.db2.gz UBYHOJAJUVUOSU-UHFFFAOYSA-N 1 1 389.297 2.628 20 30 GFEDMO CN(C)c1[nH+]cc(/C=C\C(=O)c2ccc(I)cc2)n1C ZINC000821031986 660313773 /nfs/dbraw/zinc/31/37/73/660313773.db2.gz POOMEPJQFBNYIX-HJWRWDBZSA-N 1 1 381.217 2.987 20 30 GFEDMO C#CCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000837418768 660995224 /nfs/dbraw/zinc/99/52/24/660995224.db2.gz NZADMPSTDGCYOU-INIZCTEOSA-N 1 1 388.265 2.940 20 30 GFEDMO C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000071081567 654999015 /nfs/dbraw/zinc/99/90/15/654999015.db2.gz SRTQLSOFYXQIHL-AWEZNQCLSA-N 1 1 375.881 2.893 20 30 GFEDMO N#Cc1cc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)ccc1F ZINC000097549497 655035838 /nfs/dbraw/zinc/03/58/38/655035838.db2.gz XWMXJKDKEVQSEY-MRXNPFEDSA-N 1 1 379.482 2.874 20 30 GFEDMO C#CCCN1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000839529555 661090107 /nfs/dbraw/zinc/09/01/07/661090107.db2.gz XVAIWSKIADRRDZ-UHFFFAOYSA-N 1 1 382.277 2.558 20 30 GFEDMO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)ccc1C#N ZINC000262214137 655444504 /nfs/dbraw/zinc/44/45/04/655444504.db2.gz FDJHGCYRGYTRTR-GOSISDBHSA-N 1 1 375.881 2.855 20 30 GFEDMO COC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000580005523 655506546 /nfs/dbraw/zinc/50/65/46/655506546.db2.gz MYJDCHMBBKMBTG-SFHVURJKSA-N 1 1 378.881 2.963 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(C)c(I)c1 ZINC000729812014 655568868 /nfs/dbraw/zinc/56/88/68/655568868.db2.gz JJSHJJNTCJDTRF-CQSZACIVSA-N 1 1 383.229 2.854 20 30 GFEDMO CCOCCC[N@H+]1CCC(=NNC(=S)NCCc2cccs2)[C@@H](C)C1 ZINC000735226911 655642650 /nfs/dbraw/zinc/64/26/50/655642650.db2.gz FLGZTNVYENZGKY-HNNXBMFYSA-N 1 1 382.599 2.879 20 30 GFEDMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000755043183 655879055 /nfs/dbraw/zinc/87/90/55/655879055.db2.gz VHZHQHJPTIQBFI-WMLDXEAASA-N 1 1 389.297 3.000 20 30 GFEDMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000755043183 655879057 /nfs/dbraw/zinc/87/90/57/655879057.db2.gz VHZHQHJPTIQBFI-WMLDXEAASA-N 1 1 389.297 3.000 20 30 GFEDMO C[NH+]1CCN(c2ncc(C=[NH+][N-]c3ccc(Br)cc3F)cn2)CC1 ZINC000755700409 655887341 /nfs/dbraw/zinc/88/73/41/655887341.db2.gz XGTIVSBVIUTKOF-UHFFFAOYSA-N 1 1 393.264 2.576 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000756543748 655901855 /nfs/dbraw/zinc/90/18/55/655901855.db2.gz RKIWHAMCSZDBIS-ZDUSSCGKSA-N 1 1 381.226 2.920 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000756543748 655901856 /nfs/dbraw/zinc/90/18/56/655901856.db2.gz RKIWHAMCSZDBIS-ZDUSSCGKSA-N 1 1 381.226 2.920 20 30 GFEDMO Cc1cc(Br)cn2c(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)cnc12 ZINC000783864737 657266448 /nfs/dbraw/zinc/26/64/48/657266448.db2.gz ZJQSJTKAAUDHMX-OKILXGFUSA-N 1 1 375.274 2.599 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)COc1ccc(Br)cc1C(C)=O ZINC000796988908 658958700 /nfs/dbraw/zinc/95/87/00/658958700.db2.gz MTECBZBNXXVGNL-OAHLLOKOSA-N 1 1 394.265 2.671 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)COc1ccc(Br)cc1C(C)=O ZINC000796988908 658958707 /nfs/dbraw/zinc/95/87/07/658958707.db2.gz MTECBZBNXXVGNL-OAHLLOKOSA-N 1 1 394.265 2.671 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000845979659 661516781 /nfs/dbraw/zinc/51/67/81/661516781.db2.gz GIFOEFCPUHQVAR-UHFFFAOYSA-N 1 1 376.671 2.657 20 30 GFEDMO C#CCC[N@H+](CCOC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000852748916 661873413 /nfs/dbraw/zinc/87/34/13/661873413.db2.gz KXPYXVPHFOIYMO-UHFFFAOYSA-N 1 1 388.205 2.671 20 30 GFEDMO COc1ccc(N2CC[NH+](CCNc3nc(C#N)c(Cl)s3)CC2)cc1 ZINC000853234236 661885670 /nfs/dbraw/zinc/88/56/70/661885670.db2.gz BXCHCCIVYYMJAH-UHFFFAOYSA-N 1 1 377.901 2.911 20 30 GFEDMO N#Cc1ncc(Br)cc1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000853475097 661889838 /nfs/dbraw/zinc/88/98/38/661889838.db2.gz YWELKYIYTJLFFI-INIZCTEOSA-N 1 1 387.281 2.894 20 30 GFEDMO C=C(Cl)C[C@@H]1NC(=O)N(C[C@H]2CSCC[N@H+]2Cc2ccccc2)C1=O ZINC000865306886 662411766 /nfs/dbraw/zinc/41/17/66/662411766.db2.gz KAWZXHVVRFXADQ-HOTGVXAUSA-N 1 1 379.913 2.667 20 30 GFEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)cc1 ZINC000878876181 662908087 /nfs/dbraw/zinc/90/80/87/662908087.db2.gz TXVZBTQLPYBXPX-SJLPKXTDSA-N 1 1 388.265 2.902 20 30 GFEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883093832 663048758 /nfs/dbraw/zinc/04/87/58/663048758.db2.gz IHBFHOMRVJAXBV-CYBMUJFWSA-N 1 1 392.301 2.911 20 30 GFEDMO N#Cc1nc(NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1Br ZINC000883118397 663049912 /nfs/dbraw/zinc/04/99/12/663049912.db2.gz VOYBFSJSQHTLJE-ZDUSSCGKSA-N 1 1 392.301 2.959 20 30 GFEDMO C=CCC[C@H]([NH2+]Cc1nn(C)cc1I)[C@H]1CCCO1 ZINC000883226906 663051550 /nfs/dbraw/zinc/05/15/50/663051550.db2.gz HQEICLHYRTUMOM-GXTWGEPZSA-N 1 1 375.254 2.628 20 30 GFEDMO CCC[N@@H+](C)CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885287607 663088773 /nfs/dbraw/zinc/08/87/73/663088773.db2.gz VBLQMQGTEOYUAV-IUCAKERBSA-N 1 1 382.295 2.958 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000922628507 664608879 /nfs/dbraw/zinc/60/88/79/664608879.db2.gz DNSBZTLXSVASGN-MRXNPFEDSA-N 1 1 379.302 2.646 20 30 GFEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000932209205 664813709 /nfs/dbraw/zinc/81/37/09/664813709.db2.gz SAVVZLODXLOLDA-DOMZBBRYSA-N 1 1 380.286 2.870 20 30 GFEDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1ccc(C#N)cc1I ZINC000932548463 664825543 /nfs/dbraw/zinc/82/55/43/664825543.db2.gz ANAMNAQDZSHIQN-GFCCVEGCSA-N 1 1 398.248 2.721 20 30 GFEDMO N#CC1(c2ccc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2)CCOCC1 ZINC001164726948 720427606 /nfs/dbraw/zinc/42/76/06/720427606.db2.gz CMGQUXKDOLZVPX-LEWJYISDSA-N 1 1 389.503 2.902 20 30 GFEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(Cl)nc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840623 720518900 /nfs/dbraw/zinc/51/89/00/720518900.db2.gz WYLJUYUIQYUCOQ-HLLBOEOZSA-N 1 1 385.903 2.576 20 30 GFEDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4cccs4)ccc3C#N)CC[C@@H]2C1 ZINC001164864762 720877934 /nfs/dbraw/zinc/87/79/34/720877934.db2.gz XBPHXGFHBARIBN-IEBWSBKVSA-N 1 1 398.532 2.855 20 30 GFEDMO N#Cc1cc2c(nc1N1CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C1)CCCC2 ZINC001164871503 721140326 /nfs/dbraw/zinc/14/03/26/721140326.db2.gz FCAGVHPOTIKKKD-RTWAWAEBSA-N 1 1 389.503 2.707 20 30 GFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C#N)cc(C)n1)CC2 ZINC001164786712 721469817 /nfs/dbraw/zinc/46/98/17/721469817.db2.gz CAEJSMOWAUFDOU-NRFANRHFSA-N 1 1 398.551 2.996 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(Cl)c(C#N)n2)[C@@H]2CCCO[C@@H]12 ZINC001164802459 721532066 /nfs/dbraw/zinc/53/20/66/721532066.db2.gz GJWZGYLWGHGXQZ-QWFCFKBJSA-N 1 1 383.883 2.870 20 30 GFEDMO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(C#N)n1 ZINC001164908076 721710510 /nfs/dbraw/zinc/71/05/10/721710510.db2.gz VDGFIDAPMUKFAK-IBGZPJMESA-N 1 1 384.434 2.789 20 30 GFEDMO Cc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cnc1C#N ZINC001164905592 721718716 /nfs/dbraw/zinc/71/87/16/721718716.db2.gz HVIQOUSXNUBKSW-IBGZPJMESA-N 1 1 384.434 2.789 20 30 GFEDMO Cc1nc(C#N)cnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906465 721718840 /nfs/dbraw/zinc/71/88/40/721718840.db2.gz MDERGNBQPGBVQR-IBGZPJMESA-N 1 1 384.434 2.789 20 30 GFEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4[nH]cc(C#N)c43)C[C@H]21 ZINC001165026292 721799199 /nfs/dbraw/zinc/79/91/99/721799199.db2.gz QIRKSIPHMMKFQA-ATZDWAIDSA-N 1 1 387.491 2.961 20 30 GFEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)nn2)cc1 ZINC001164930281 721850239 /nfs/dbraw/zinc/85/02/39/721850239.db2.gz REYZDZVMNOYYRE-KSEOMHKRSA-N 1 1 390.535 2.655 20 30 GFEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)nn2)cc1 ZINC001164930281 721850240 /nfs/dbraw/zinc/85/02/40/721850240.db2.gz REYZDZVMNOYYRE-KSEOMHKRSA-N 1 1 390.535 2.655 20 30 GFEDMO Cc1ccc(CC#N)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164972666 722145069 /nfs/dbraw/zinc/14/50/69/722145069.db2.gz AGSXMRINPKJGFW-LEWJYISDSA-N 1 1 377.492 2.578 20 30 GFEDMO Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1CC#N ZINC001164972711 722145788 /nfs/dbraw/zinc/14/57/88/722145788.db2.gz AJVJBSBABBBLGG-NHCUHLMSSA-N 1 1 377.492 2.578 20 30 GFEDMO CCOC(=O)CC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181436458 552256494 /nfs/dbraw/zinc/25/64/94/552256494.db2.gz MEVNPTJIJBKEKW-INIZCTEOSA-N 1 1 380.286 2.585 20 30 GFEDMO C=CCN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2F)C1=O ZINC000281263922 563371406 /nfs/dbraw/zinc/37/14/06/563371406.db2.gz HQHJWKCLPKMGPP-OAHLLOKOSA-N 1 1 398.276 2.636 20 30 GFEDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282761463 563423340 /nfs/dbraw/zinc/42/33/40/563423340.db2.gz VJXINFONVRGXNT-XHDPSFHLSA-N 1 1 375.416 2.538 20 30 GFEDMO Cn1nccc1CC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000284443646 563474661 /nfs/dbraw/zinc/47/46/61/563474661.db2.gz QITOYOGTGGOKHJ-GOSISDBHSA-N 1 1 388.313 2.608 20 30 GFEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000329220372 563475542 /nfs/dbraw/zinc/47/55/42/563475542.db2.gz TVBCFTYEWRXTFD-GJZGRUSLSA-N 1 1 385.555 2.732 20 30 GFEDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000329312361 563478262 /nfs/dbraw/zinc/47/82/62/563478262.db2.gz PVUUNHJESIVKCO-JSGCOSHPSA-N 1 1 392.297 2.995 20 30 GFEDMO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000330268230 563499916 /nfs/dbraw/zinc/49/99/16/563499916.db2.gz QZZOFTNMOSVXHC-CYBMUJFWSA-N 1 1 381.267 2.900 20 30 GFEDMO CC(C)[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000330370143 563502487 /nfs/dbraw/zinc/50/24/87/563502487.db2.gz DOYUVRONYYLFEJ-ZDUSSCGKSA-N 1 1 375.416 2.728 20 30 GFEDMO COc1ccc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c(Br)c1 ZINC000331317917 563545170 /nfs/dbraw/zinc/54/51/70/563545170.db2.gz ZDEXAXOMPLSVCF-UHFFFAOYSA-N 1 1 399.333 2.810 20 30 GFEDMO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000287439672 563602118 /nfs/dbraw/zinc/60/21/18/563602118.db2.gz URDIJFNFRUPKQF-QGZVFWFLSA-N 1 1 385.302 2.555 20 30 GFEDMO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000287439672 563602120 /nfs/dbraw/zinc/60/21/20/563602120.db2.gz URDIJFNFRUPKQF-QGZVFWFLSA-N 1 1 385.302 2.555 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433292597 563608439 /nfs/dbraw/zinc/60/84/39/563608439.db2.gz XZXQKGNOKOIXDX-ZFWWWQNUSA-N 1 1 394.313 2.714 20 30 GFEDMO C[N@@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1ccc(C#N)s1)C1CC1 ZINC000435444048 563651134 /nfs/dbraw/zinc/65/11/34/563651134.db2.gz USFQQQTWDZNQRV-QGZVFWFLSA-N 1 1 375.519 2.809 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)c1cccc(F)c1 ZINC000443098512 563791981 /nfs/dbraw/zinc/79/19/81/563791981.db2.gz YCLLEQXVLNCDJD-MRXNPFEDSA-N 1 1 381.860 2.932 20 30 GFEDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449881174 564207836 /nfs/dbraw/zinc/20/78/36/564207836.db2.gz CFHVPDBDGQTZPA-HIFRSBDPSA-N 1 1 392.297 2.785 20 30 GFEDMO CCC[N@@H+](C)[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)c1ccc(Cl)cc1 ZINC000509619226 564305570 /nfs/dbraw/zinc/30/55/70/564305570.db2.gz QBBPYBRJEOJCQL-PBHICJAKSA-N 1 1 386.949 2.791 20 30 GFEDMO CCC[N@@H+](C)[C@@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)c1ccc(Cl)cc1 ZINC000509623045 564305661 /nfs/dbraw/zinc/30/56/61/564305661.db2.gz DGGFWEPQFQRRCG-YOEHRIQHSA-N 1 1 386.949 2.649 20 30 GFEDMO CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000452102276 564392534 /nfs/dbraw/zinc/39/25/34/564392534.db2.gz HYLRGXFIPIEFGT-CYBMUJFWSA-N 1 1 375.416 2.680 20 30 GFEDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)COc3cccc(Br)c3C#N)C2)C1 ZINC000452145705 564396130 /nfs/dbraw/zinc/39/61/30/564396130.db2.gz DMXNYXKTCLQBMD-GOSISDBHSA-N 1 1 392.297 2.644 20 30 GFEDMO C=CC[N@@H+](CCC(=O)N1CCN(C)CC1)Cc1cc(Br)ccc1F ZINC000513888632 564441946 /nfs/dbraw/zinc/44/19/46/564441946.db2.gz CNKIUXQXZAKVAH-UHFFFAOYSA-N 1 1 398.320 2.740 20 30 GFEDMO C=CC[N@H+](CCC(=O)N1CCN(C)CC1)Cc1cc(Br)ccc1F ZINC000513888632 564441949 /nfs/dbraw/zinc/44/19/49/564441949.db2.gz CNKIUXQXZAKVAH-UHFFFAOYSA-N 1 1 398.320 2.740 20 30 GFEDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000522376440 564651120 /nfs/dbraw/zinc/65/11/20/564651120.db2.gz WQICUGACNDVGFT-ZDUSSCGKSA-N 1 1 375.416 2.539 20 30 GFEDMO N#CC1(NC(=O)C[N@@H+](CCO)Cc2cccc(Br)c2)CCCCC1 ZINC000488181130 564706731 /nfs/dbraw/zinc/70/67/31/564706731.db2.gz FMNPZLPFWONXCQ-UHFFFAOYSA-N 1 1 394.313 2.586 20 30 GFEDMO N#CC1(NC(=O)C[N@H+](CCO)Cc2cccc(Br)c2)CCCCC1 ZINC000488181130 564706734 /nfs/dbraw/zinc/70/67/34/564706734.db2.gz FMNPZLPFWONXCQ-UHFFFAOYSA-N 1 1 394.313 2.586 20 30 GFEDMO COCC[N@@H+](CCC(=O)N(C)CCC#N)Cc1cc(Br)cs1 ZINC000494087443 564816756 /nfs/dbraw/zinc/81/67/56/564816756.db2.gz GODMTNVFSWCUOZ-UHFFFAOYSA-N 1 1 388.331 2.721 20 30 GFEDMO CSc1ccc([C@H](CNS(=O)(=O)c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000559199670 564926684 /nfs/dbraw/zinc/92/66/84/564926684.db2.gz IGNHZJMPKGDJQN-SFHVURJKSA-N 1 1 375.519 2.861 20 30 GFEDMO C=C1CC[NH+](CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)CC1 ZINC000533280520 564959679 /nfs/dbraw/zinc/95/96/79/564959679.db2.gz CEBSTUBNMXXUKU-UHFFFAOYSA-N 1 1 398.370 2.807 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(F)cc1 ZINC000561342974 564992264 /nfs/dbraw/zinc/99/22/64/564992264.db2.gz XXAVHYWPXSYKFE-INIZCTEOSA-N 1 1 381.860 2.932 20 30 GFEDMO C=CCCn1cc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)nn1 ZINC000657340160 565097679 /nfs/dbraw/zinc/09/76/79/565097679.db2.gz BIHHMKJYYHQZGW-UHFFFAOYSA-N 1 1 378.274 2.735 20 30 GFEDMO C[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccc(S(N)(=O)=O)cc1 ZINC000588204452 565130809 /nfs/dbraw/zinc/13/08/09/565130809.db2.gz AOMKPXVHQPDISV-NSHDSACASA-N 1 1 394.294 2.819 20 30 GFEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccsc1C#N ZINC000593559401 565341230 /nfs/dbraw/zinc/34/12/30/565341230.db2.gz ZYJGDRWJQNXZPW-OAHLLOKOSA-N 1 1 375.519 2.905 20 30 GFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccsc1C#N ZINC000593559401 565341235 /nfs/dbraw/zinc/34/12/35/565341235.db2.gz ZYJGDRWJQNXZPW-OAHLLOKOSA-N 1 1 375.519 2.905 20 30 GFEDMO N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594198185 565378804 /nfs/dbraw/zinc/37/88/04/565378804.db2.gz SUVMHRJCHAQDSM-SJORKVTESA-N 1 1 376.298 2.996 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000594763327 565417123 /nfs/dbraw/zinc/41/71/23/565417123.db2.gz OGYUMQXXYHNANZ-BXUZGUMPSA-N 1 1 375.519 2.985 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000594763327 565417128 /nfs/dbraw/zinc/41/71/28/565417128.db2.gz OGYUMQXXYHNANZ-BXUZGUMPSA-N 1 1 375.519 2.985 20 30 GFEDMO N#Cc1ccc(C[NH+]2CCN(c3nnc4ccc(Br)cn43)CC2)cc1 ZINC000596052321 565510354 /nfs/dbraw/zinc/51/03/54/565510354.db2.gz CSSQUNYXHHNMHG-UHFFFAOYSA-N 1 1 397.280 2.686 20 30 GFEDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)COc1cccc(Br)c1C#N ZINC000597606227 565567702 /nfs/dbraw/zinc/56/77/02/565567702.db2.gz VKCGOCIJYUHVGF-ZDUSSCGKSA-N 1 1 380.286 2.642 20 30 GFEDMO Cc1ccc2c(ncc(C#N)c2NCC[N@H+]2CC[C@H](O)C2)c1Br ZINC000599199151 565661544 /nfs/dbraw/zinc/66/15/44/565661544.db2.gz FOYHMCWONTXKAS-ZDUSSCGKSA-N 1 1 375.270 2.656 20 30 GFEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000599651405 565694666 /nfs/dbraw/zinc/69/46/66/565694666.db2.gz HEMZFPDJSLSKBI-TZMCWYRMSA-N 1 1 380.286 2.639 20 30 GFEDMO CC1(C)CN(Cc2ccccc2C#N)CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC000820601224 606087555 /nfs/dbraw/zinc/08/75/55/606087555.db2.gz FYYQTSBJJXGHHW-UHFFFAOYSA-N 1 1 387.491 2.835 20 30 GFEDMO C=CC[N@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819743297 606317157 /nfs/dbraw/zinc/31/71/57/606317157.db2.gz GNWWHOKFRFFSAX-UHFFFAOYSA-N 1 1 395.442 2.605 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000818588651 660229099 /nfs/dbraw/zinc/22/90/99/660229099.db2.gz AFBYQJBQKRKOBS-GFCCVEGCSA-N 1 1 387.705 2.941 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)c1cc(Br)c(OCCC)c(OC)c1 ZINC000818595558 660229422 /nfs/dbraw/zinc/22/94/22/660229422.db2.gz AOOXVXCVBIGLHP-UHFFFAOYSA-N 1 1 397.313 2.931 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)CCSc1ncnc2sc(C)c(C)c21 ZINC000818603196 660229967 /nfs/dbraw/zinc/22/99/67/660229967.db2.gz SZYITMAGJKZCCL-UHFFFAOYSA-N 1 1 376.551 2.862 20 30 GFEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000830674355 660672862 /nfs/dbraw/zinc/67/28/62/660672862.db2.gz MKCYDDKRDIIIND-HNNXBMFYSA-N 1 1 375.778 2.743 20 30 GFEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000830674355 660672865 /nfs/dbraw/zinc/67/28/65/660672865.db2.gz MKCYDDKRDIIIND-HNNXBMFYSA-N 1 1 375.778 2.743 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000836490089 660910523 /nfs/dbraw/zinc/91/05/23/660910523.db2.gz GOVMETPOZQQHAP-CQSZACIVSA-N 1 1 382.327 2.850 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000836490055 660910533 /nfs/dbraw/zinc/91/05/33/660910533.db2.gz DXWCJSJNHAEGIX-UHFFFAOYSA-N 1 1 382.277 2.611 20 30 GFEDMO C#CCC[NH+]1CCN(C(=O)CCc2ccc(OC)c(Br)c2)CC1 ZINC000064443852 654869061 /nfs/dbraw/zinc/86/90/61/654869061.db2.gz QJBPNEAZMTYKPE-UHFFFAOYSA-N 1 1 379.298 2.558 20 30 GFEDMO C[N@@H+](CC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1)[C@@H]1CCSC1 ZINC000329143673 655387533 /nfs/dbraw/zinc/38/75/33/655387533.db2.gz VRTMIHMPZZLFSV-HUUCEWRRSA-N 1 1 383.514 2.753 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000729809987 655568723 /nfs/dbraw/zinc/56/87/23/655568723.db2.gz QGTKNJIXVYUENZ-CZUORRHYSA-N 1 1 378.881 2.784 20 30 GFEDMO Fc1cc(Br)cc2c1OCCC2=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753939851 655861175 /nfs/dbraw/zinc/86/11/75/655861175.db2.gz RGNOQUBGIQZOKW-ZIAGYGMSSA-N 1 1 381.249 2.935 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000756541369 655901543 /nfs/dbraw/zinc/90/15/43/655901543.db2.gz ASPRBGQORWSAMB-ZDUSSCGKSA-N 1 1 382.254 2.721 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+](CC)CC(=O)NC)cc1OCC ZINC000768303310 656236712 /nfs/dbraw/zinc/23/67/12/656236712.db2.gz RGXLPTQBDAMHCN-UHFFFAOYSA-N 1 1 385.302 2.981 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](CC)CC(=O)NC)cc1OCC ZINC000768303310 656236715 /nfs/dbraw/zinc/23/67/15/656236715.db2.gz RGXLPTQBDAMHCN-UHFFFAOYSA-N 1 1 385.302 2.981 20 30 GFEDMO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000783531177 657236906 /nfs/dbraw/zinc/23/69/06/657236906.db2.gz HRRAPWDNFYMRPM-HNNXBMFYSA-N 1 1 385.551 2.654 20 30 GFEDMO N#Cc1ccc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c(Br)c1 ZINC000787997563 657631246 /nfs/dbraw/zinc/63/12/46/657631246.db2.gz UKSNFEBZBMNWDW-INIZCTEOSA-N 1 1 375.270 2.989 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1c2ccc(Br)cc2nn1C ZINC000842710568 661350286 /nfs/dbraw/zinc/35/02/86/661350286.db2.gz OLKWCDOUKLTDCG-ZDUSSCGKSA-N 1 1 376.254 2.590 20 30 GFEDMO C#CCN(C[C@H](O)C[N@H+](C)CC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000846804806 661566382 /nfs/dbraw/zinc/56/63/82/661566382.db2.gz PMJHFVNSRUAMBN-NVXWUHKLSA-N 1 1 381.314 2.521 20 30 GFEDMO C#C[C@H]1CCC[N@@H+](Cn2c(=O)oc3cc(I)ccc32)C1 ZINC000848493343 661655833 /nfs/dbraw/zinc/65/58/33/661655833.db2.gz HSKSSLNZMLYVFI-NSHDSACASA-N 1 1 382.201 2.502 20 30 GFEDMO C#C[C@H]1CCC[N@H+](Cn2c(=O)oc3cc(I)ccc32)C1 ZINC000848493343 661655836 /nfs/dbraw/zinc/65/58/36/661655836.db2.gz HSKSSLNZMLYVFI-NSHDSACASA-N 1 1 382.201 2.502 20 30 GFEDMO C#CC[N@@H+](C[C@H](O)CC1(O)CCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000859140176 662140329 /nfs/dbraw/zinc/14/03/29/662140329.db2.gz KSSICNIZMYVUEK-NVXWUHKLSA-N 1 1 394.309 2.874 20 30 GFEDMO C#CC[N@H+](C[C@H](O)CC1(O)CCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000859140176 662140332 /nfs/dbraw/zinc/14/03/32/662140332.db2.gz KSSICNIZMYVUEK-NVXWUHKLSA-N 1 1 394.309 2.874 20 30 GFEDMO Cn1cc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)c(Br)n1 ZINC000871723920 662732219 /nfs/dbraw/zinc/73/22/19/662732219.db2.gz RTQUHMUOTMKWOT-UHFFFAOYSA-N 1 1 379.258 2.570 20 30 GFEDMO COC[C@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCC1)c1cccc(Br)c1 ZINC000871924407 662742405 /nfs/dbraw/zinc/74/24/05/662742405.db2.gz JAHUGZCGYQIIFM-DOMZBBRYSA-N 1 1 380.286 2.677 20 30 GFEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1N=Nc1cc(Br)ncn1 ZINC000872436032 662766055 /nfs/dbraw/zinc/76/60/55/662766055.db2.gz OJVZLHPNMBGISG-GFCCVEGCSA-N 1 1 375.274 2.944 20 30 GFEDMO C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000876950650 662868651 /nfs/dbraw/zinc/86/86/51/662868651.db2.gz RMCHFKRRAYIXHT-LBPRGKRZSA-N 1 1 378.885 2.708 20 30 GFEDMO C=CCC1(O)CC[NH+](CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000886766571 663117594 /nfs/dbraw/zinc/11/75/94/663117594.db2.gz MKQKOVCRTFOPTC-UHFFFAOYSA-N 1 1 387.343 2.872 20 30 GFEDMO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CCCN(O)C1=O ZINC000895164158 663501544 /nfs/dbraw/zinc/50/15/44/663501544.db2.gz DGCDAFMATZJQEJ-INIZCTEOSA-N 1 1 393.285 2.721 20 30 GFEDMO N#Cc1ccc(Br)c(C[NH2+]Cc2cc(C(N)=O)c3n2CCCC3)c1 ZINC000922323936 664594747 /nfs/dbraw/zinc/59/47/47/664594747.db2.gz URZMDOOPKUVQJZ-UHFFFAOYSA-N 1 1 387.281 2.847 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000923575921 664634209 /nfs/dbraw/zinc/63/42/09/664634209.db2.gz GINVTKFYGVSRKX-CYBMUJFWSA-N 1 1 388.265 2.530 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000923575921 664634210 /nfs/dbraw/zinc/63/42/10/664634210.db2.gz GINVTKFYGVSRKX-CYBMUJFWSA-N 1 1 388.265 2.530 20 30 GFEDMO C#CC[NH+]1CCC(NC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)CC1 ZINC000928655613 664736473 /nfs/dbraw/zinc/73/64/73/664736473.db2.gz UMSDENNNQMJWRA-CQSZACIVSA-N 1 1 391.309 2.872 20 30 GFEDMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000934472727 664907271 /nfs/dbraw/zinc/90/72/71/664907271.db2.gz QHGNHTLRBMLSAM-CYBMUJFWSA-N 1 1 385.917 2.569 20 30 GFEDMO COc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncc1C#N ZINC001164839199 720507445 /nfs/dbraw/zinc/50/74/45/720507445.db2.gz SZBXRPVYEWGMGV-NZSAHSFTSA-N 1 1 380.496 2.536 20 30 GFEDMO COc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncc1C#N ZINC001164839201 720507834 /nfs/dbraw/zinc/50/78/34/720507834.db2.gz SZBXRPVYEWGMGV-YTQUADARSA-N 1 1 380.496 2.536 20 30 GFEDMO Cc1cc(C#N)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1C ZINC001164743266 720823369 /nfs/dbraw/zinc/82/33/69/720823369.db2.gz RTAQSZOGAIIDGF-NJDAHSKKSA-N 1 1 391.523 2.541 20 30 GFEDMO Cc1nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001164770228 721080739 /nfs/dbraw/zinc/08/07/39/721080739.db2.gz PFEMXEBAQIYEIS-IAGOWNOFSA-N 1 1 384.915 2.915 20 30 GFEDMO Cc1nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001164770236 721080855 /nfs/dbraw/zinc/08/08/55/721080855.db2.gz PFEMXEBAQIYEIS-SJORKVTESA-N 1 1 384.915 2.915 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)c(Cl)cc4C#N)C[C@@H]3C2)cn1 ZINC001164768276 721134876 /nfs/dbraw/zinc/13/48/76/721134876.db2.gz OARNHQIGEPYFIC-ZFWWWQNUSA-N 1 1 391.306 2.952 20 30 GFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C#N)c(C)n3)C2)C1 ZINC001164780297 721358199 /nfs/dbraw/zinc/35/81/99/721358199.db2.gz FUNFVTGVPQFNCK-JOCHJYFZSA-N 1 1 395.507 2.986 20 30 GFEDMO N#Cc1cnc2cc[nH]c(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c1-2 ZINC001164912427 721548287 /nfs/dbraw/zinc/54/82/87/721548287.db2.gz ZSMNWZCQBFBBIM-FUHWJXTLSA-N 1 1 377.423 2.916 20 30 GFEDMO N#Cc1cc2nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)ccc2[nH]1 ZINC001164910422 721551045 /nfs/dbraw/zinc/55/10/45/721551045.db2.gz WSCDTNCANWNRHZ-SJLPKXTDSA-N 1 1 377.423 2.916 20 30 GFEDMO C=CC[NH+]1CCN(c2nc(/C=C\C(=O)OC)ccc2NC(=O)C(C)(C)C)CC1 ZINC001165032115 721869126 /nfs/dbraw/zinc/86/91/26/721869126.db2.gz ICBWSBQPWZPVNB-NTMALXAHSA-N 1 1 386.496 2.560 20 30 GFEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000157731615 551541477 /nfs/dbraw/zinc/54/14/77/551541477.db2.gz FCUPOOOXAMVKHO-KBPBESRZSA-N 1 1 390.285 2.938 20 30 GFEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000157731615 551541479 /nfs/dbraw/zinc/54/14/79/551541479.db2.gz FCUPOOOXAMVKHO-KBPBESRZSA-N 1 1 390.285 2.938 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000173122797 552078108 /nfs/dbraw/zinc/07/81/08/552078108.db2.gz PRVSLMHXQLLNKK-UHFFFAOYSA-N 1 1 377.279 2.517 20 30 GFEDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)[C@@H]1c1ccccc1 ZINC000178951324 552180216 /nfs/dbraw/zinc/18/02/16/552180216.db2.gz FMGUIMMXPWTCFJ-AEFFLSMTSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)[C@@H]1c1ccccc1 ZINC000178951324 552180218 /nfs/dbraw/zinc/18/02/18/552180218.db2.gz FMGUIMMXPWTCFJ-AEFFLSMTSA-N 1 1 375.881 2.935 20 30 GFEDMO C=CCNC(=O)NC(=O)C[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000191251340 552522645 /nfs/dbraw/zinc/52/26/45/552522645.db2.gz FDYTXOKMAYEOOI-UHFFFAOYSA-N 1 1 375.778 2.949 20 30 GFEDMO CCN1CCN(CC(C)(C)[NH2+]Cc2ccc(C#N)cc2Br)CC1 ZINC000451984432 564376016 /nfs/dbraw/zinc/37/60/16/564376016.db2.gz LAUMIWVFKUTIBO-UHFFFAOYSA-N 1 1 379.346 2.826 20 30 GFEDMO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H](O)c1cccc(Br)c1 ZINC000298054041 563343554 /nfs/dbraw/zinc/34/35/54/563343554.db2.gz FQIWSXFSPVFYGN-INIZCTEOSA-N 1 1 394.313 2.757 20 30 GFEDMO C[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H](O)c1cccc(Br)c1 ZINC000298054041 563343555 /nfs/dbraw/zinc/34/35/55/563343555.db2.gz FQIWSXFSPVFYGN-INIZCTEOSA-N 1 1 394.313 2.757 20 30 GFEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)s1 ZINC000373734567 563349225 /nfs/dbraw/zinc/34/92/25/563349225.db2.gz CTGJQSBVBJTVRY-INIZCTEOSA-N 1 1 375.519 2.762 20 30 GFEDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000377389584 563473263 /nfs/dbraw/zinc/47/32/63/563473263.db2.gz NCTXWMBTYCOBIW-WMZOPIPTSA-N 1 1 375.519 2.732 20 30 GFEDMO N#CC1(NC(=O)C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CCCCC1 ZINC000429014783 563507946 /nfs/dbraw/zinc/50/79/46/563507946.db2.gz WTFWIALMPNGYAB-HNNXBMFYSA-N 1 1 398.276 2.554 20 30 GFEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)[C@H](C)C1 ZINC000330581894 563511486 /nfs/dbraw/zinc/51/14/86/563511486.db2.gz QTUBGWIQIGZVND-NXEZZACHSA-N 1 1 392.244 2.660 20 30 GFEDMO C[C@@]1(CNS(=O)(=O)c2ccc(C#N)s2)CCC[N@@H+]1Cc1ccccc1 ZINC000398109691 563532689 /nfs/dbraw/zinc/53/26/89/563532689.db2.gz QQBPXUQFYXHRIA-SFHVURJKSA-N 1 1 375.519 2.953 20 30 GFEDMO C[C@@]1(CNS(=O)(=O)c2ccc(C#N)s2)CCC[N@H+]1Cc1ccccc1 ZINC000398109691 563532697 /nfs/dbraw/zinc/53/26/97/563532697.db2.gz QQBPXUQFYXHRIA-SFHVURJKSA-N 1 1 375.519 2.953 20 30 GFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C#N)s1 ZINC000398049202 563532934 /nfs/dbraw/zinc/53/29/34/563532934.db2.gz VMAWWTCQLKBZRR-PBHICJAKSA-N 1 1 375.519 2.809 20 30 GFEDMO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000287439669 563601764 /nfs/dbraw/zinc/60/17/64/563601764.db2.gz URDIJFNFRUPKQF-KRWDZBQOSA-N 1 1 385.302 2.555 20 30 GFEDMO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000287439669 563601767 /nfs/dbraw/zinc/60/17/67/563601767.db2.gz URDIJFNFRUPKQF-KRWDZBQOSA-N 1 1 385.302 2.555 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1Br ZINC000333213775 563624788 /nfs/dbraw/zinc/62/47/88/563624788.db2.gz DFZACKNEEDIQAM-AWEZNQCLSA-N 1 1 398.326 2.616 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1Br ZINC000333213775 563624791 /nfs/dbraw/zinc/62/47/91/563624791.db2.gz DFZACKNEEDIQAM-AWEZNQCLSA-N 1 1 398.326 2.616 20 30 GFEDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416441442 563829146 /nfs/dbraw/zinc/82/91/46/563829146.db2.gz VIXUDCBJNRKHSY-UHFFFAOYSA-N 1 1 397.298 2.537 20 30 GFEDMO N#Cc1ccc(CN2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000367940236 563860146 /nfs/dbraw/zinc/86/01/46/563860146.db2.gz DDYMSUJUERPROH-IAGOWNOFSA-N 1 1 378.314 2.742 20 30 GFEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)COc2cccc(Br)c2C#N)[C@H](C)C1 ZINC000449988522 564212814 /nfs/dbraw/zinc/21/28/14/564212814.db2.gz SKPYUUHDCIZWHV-CZUORRHYSA-N 1 1 394.313 2.888 20 30 GFEDMO N#Cc1cccc(NC(=O)C[NH2+][C@H](CCO)c2ccccc2Br)c1 ZINC000541022362 564262864 /nfs/dbraw/zinc/26/28/64/564262864.db2.gz ARFRXCJFIZUXSL-QGZVFWFLSA-N 1 1 388.265 2.973 20 30 GFEDMO C[C@H]1C[N@@H+](CCCNC(=O)Nc2ccc(C#N)c(Br)c2)CCCO1 ZINC000487887881 564698945 /nfs/dbraw/zinc/69/89/45/564698945.db2.gz YNAVARXVTHTESG-ZDUSSCGKSA-N 1 1 395.301 2.943 20 30 GFEDMO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000577147148 564726253 /nfs/dbraw/zinc/72/62/53/564726253.db2.gz CJQRGHLEMSKVIW-CQSZACIVSA-N 1 1 391.317 2.895 20 30 GFEDMO C[C@]1(Br)C[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000527745977 564759311 /nfs/dbraw/zinc/75/93/11/564759311.db2.gz QZERMUZPUPXYPG-WMZOPIPTSA-N 1 1 376.298 2.766 20 30 GFEDMO C[C@]1(Br)C[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000527745977 564759314 /nfs/dbraw/zinc/75/93/14/564759314.db2.gz QZERMUZPUPXYPG-WMZOPIPTSA-N 1 1 376.298 2.766 20 30 GFEDMO N#C[C@H]1CC[C@@H]([NH+]2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000555379873 564791368 /nfs/dbraw/zinc/79/13/68/564791368.db2.gz NGSPXHCXAZFLBP-WMLDXEAASA-N 1 1 391.313 2.697 20 30 GFEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000491903597 564796078 /nfs/dbraw/zinc/79/60/78/564796078.db2.gz WHOIOZDMQCZKCE-MRXNPFEDSA-N 1 1 385.277 2.824 20 30 GFEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000491903597 564796083 /nfs/dbraw/zinc/79/60/83/564796083.db2.gz WHOIOZDMQCZKCE-MRXNPFEDSA-N 1 1 385.277 2.824 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000558336807 564898191 /nfs/dbraw/zinc/89/81/91/564898191.db2.gz VOIPDQQTNHSSCH-WFASDCNBSA-N 1 1 381.929 2.515 20 30 GFEDMO N#Cc1cccc(CC[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)c1 ZINC000503585391 565024078 /nfs/dbraw/zinc/02/40/78/565024078.db2.gz BGXWNRZSAHKMDX-MRXNPFEDSA-N 1 1 376.229 2.819 20 30 GFEDMO CN(C)c1nc(N2CCN(c3cccc(Br)c3C#N)CC2)cc[nH+]1 ZINC000589578944 565166688 /nfs/dbraw/zinc/16/66/88/565166688.db2.gz GUOUIUBFPKEVLA-UHFFFAOYSA-N 1 1 387.285 2.503 20 30 GFEDMO N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000594483742 565394448 /nfs/dbraw/zinc/39/44/48/565394448.db2.gz OSOUYMXFAJRXNM-JKSUJKDBSA-N 1 1 398.326 2.616 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000594775493 565418847 /nfs/dbraw/zinc/41/88/47/565418847.db2.gz BJFUZXLICAHUOM-SFHVURJKSA-N 1 1 375.519 2.798 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000594785357 565420107 /nfs/dbraw/zinc/42/01/07/565420107.db2.gz MOZVHAKGQXQESD-GOEBONIOSA-N 1 1 375.519 2.796 20 30 GFEDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)COc1ccc(C#N)c(Br)c1)C2 ZINC000597710504 565572149 /nfs/dbraw/zinc/57/21/49/565572149.db2.gz NWUIDLDJRMBRQP-SFHVURJKSA-N 1 1 392.297 2.644 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000597861867 565578833 /nfs/dbraw/zinc/57/88/33/565578833.db2.gz XLYFJZJUIOFPSB-CYBMUJFWSA-N 1 1 394.313 2.936 20 30 GFEDMO C[N@@H+](CCc1ccc(Br)cc1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599298264 565668815 /nfs/dbraw/zinc/66/88/15/565668815.db2.gz WYSANTKQZUTSCJ-QGZVFWFLSA-N 1 1 381.314 2.995 20 30 GFEDMO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000599475890 565683329 /nfs/dbraw/zinc/68/33/29/565683329.db2.gz YRMBRXYOLXPUOW-BBRMVZONSA-N 1 1 381.259 2.928 20 30 GFEDMO C=CCOCCNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000679499010 566044396 /nfs/dbraw/zinc/04/43/96/566044396.db2.gz ZLQKHVRWORVEND-UHFFFAOYSA-N 1 1 396.329 2.915 20 30 GFEDMO C=CC[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)CCc1ccccc1 ZINC000735418447 598983653 /nfs/dbraw/zinc/98/36/53/598983653.db2.gz DWIQVURKRMDTKC-UHFFFAOYSA-N 1 1 379.464 2.985 20 30 GFEDMO C[C@@H](CN(C)Cc1cccc(C#N)c1)C[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736003077 599444524 /nfs/dbraw/zinc/44/45/24/599444524.db2.gz VYTCRFLAKYVHGI-KRWDZBQOSA-N 1 1 389.507 2.938 20 30 GFEDMO N#Cc1cccc(NC(=O)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000822837590 599637031 /nfs/dbraw/zinc/63/70/31/599637031.db2.gz OPNWFRKMSYUVRR-UHFFFAOYSA-N 1 1 387.447 2.732 20 30 GFEDMO CN1CCC([NH+]2CCC(CC[N@@H+](C)[C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)CC1 ZINC000830923874 601156393 /nfs/dbraw/zinc/15/63/93/601156393.db2.gz VIKOBUCNRSPNKX-QFIPXVFZSA-N 1 1 398.551 2.812 20 30 GFEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1CC(=O)OC ZINC000823914471 607738450 /nfs/dbraw/zinc/73/84/50/607738450.db2.gz JKPLOIONIDQDLT-UHFFFAOYSA-N 1 1 377.448 2.770 20 30 GFEDMO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(C(=O)OC)c1C#N ZINC000825318893 607921519 /nfs/dbraw/zinc/92/15/19/607921519.db2.gz UGVRKFYRCSLSMP-UHFFFAOYSA-N 1 1 390.447 2.937 20 30 GFEDMO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(C(=O)OC)c1C#N ZINC000825318893 607921520 /nfs/dbraw/zinc/92/15/20/607921520.db2.gz UGVRKFYRCSLSMP-UHFFFAOYSA-N 1 1 390.447 2.937 20 30 GFEDMO C=C(C)C[N@@H+](C)CCC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000823877624 609370602 /nfs/dbraw/zinc/37/06/02/609370602.db2.gz BWSBEIXWAOFSCH-UHFFFAOYSA-N 1 1 397.483 2.763 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000817769640 660208360 /nfs/dbraw/zinc/20/83/60/660208360.db2.gz YIGMKWQOZXBUGR-WMZOPIPTSA-N 1 1 375.310 2.938 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000817769640 660208362 /nfs/dbraw/zinc/20/83/62/660208362.db2.gz YIGMKWQOZXBUGR-WMZOPIPTSA-N 1 1 375.310 2.938 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 ZINC000818599166 660229710 /nfs/dbraw/zinc/22/97/10/660229710.db2.gz COZDDRWXAMXETG-UHFFFAOYSA-N 1 1 380.279 2.567 20 30 GFEDMO N#CCCC[C@@H]([NH3+])c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000822946614 660358633 /nfs/dbraw/zinc/35/86/33/660358633.db2.gz GAUAWHQOYYBJHR-GFCCVEGCSA-N 1 1 393.241 2.888 20 30 GFEDMO COC(=O)[C@@H]1C[N@@H+](CCO[C@@H](C)C#N)C[C@H]1c1ccc(Br)cc1 ZINC000823491997 660373508 /nfs/dbraw/zinc/37/35/08/660373508.db2.gz FDQXEJWBWPZFHO-VBNZEHGJSA-N 1 1 381.270 2.566 20 30 GFEDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000173323736 655168380 /nfs/dbraw/zinc/16/83/80/655168380.db2.gz LQNAJRCXADPJAZ-CRAIPNDOSA-N 1 1 375.519 2.981 20 30 GFEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000119051827 655288079 /nfs/dbraw/zinc/28/80/79/655288079.db2.gz LRPQLANDMFUMIC-MRXNPFEDSA-N 1 1 377.330 2.927 20 30 GFEDMO N#Cc1ccc([C@@H](O)C[NH+]2CCN(c3ccc(Br)cn3)CC2)cc1 ZINC000177994247 655294480 /nfs/dbraw/zinc/29/44/80/655294480.db2.gz FOMNYZWIGOEIBG-KRWDZBQOSA-N 1 1 387.281 2.571 20 30 GFEDMO C[NH+]=C(NCCc1ccc(Br)s1)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261957643 655443248 /nfs/dbraw/zinc/44/32/48/655443248.db2.gz JGEMTKFRJGYQCH-SMDDNHRTSA-N 1 1 385.375 2.701 20 30 GFEDMO COc1cc(C[N@@H+]2CC[C@H](Nc3nc(C#N)c(Cl)s3)C2)cc(OC)c1 ZINC000596162179 655514272 /nfs/dbraw/zinc/51/42/72/655514272.db2.gz DWMNEXIAPKYBDI-LBPRGKRZSA-N 1 1 378.885 2.794 20 30 GFEDMO COc1cc(C[N@H+]2CC[C@H](Nc3nc(C#N)c(Cl)s3)C2)cc(OC)c1 ZINC000596162179 655514273 /nfs/dbraw/zinc/51/42/73/655514273.db2.gz DWMNEXIAPKYBDI-LBPRGKRZSA-N 1 1 378.885 2.794 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000730284547 655573296 /nfs/dbraw/zinc/57/32/96/655573296.db2.gz RKZRPSIBOCNBGP-ZDUSSCGKSA-N 1 1 387.224 2.764 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000730284547 655573297 /nfs/dbraw/zinc/57/32/97/655573297.db2.gz RKZRPSIBOCNBGP-ZDUSSCGKSA-N 1 1 387.224 2.764 20 30 GFEDMO CCOc1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cc(Br)c1O ZINC000753937406 655861130 /nfs/dbraw/zinc/86/11/30/655861130.db2.gz DIGKJYJZCFXKPU-STQMWFEESA-N 1 1 381.274 2.747 20 30 GFEDMO C=C(Br)CNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000758504908 655934340 /nfs/dbraw/zinc/93/43/40/655934340.db2.gz IDBOSGMRXIRNLO-HNNXBMFYSA-N 1 1 384.343 2.812 20 30 GFEDMO C=C(Br)CNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000758504908 655934341 /nfs/dbraw/zinc/93/43/41/655934341.db2.gz IDBOSGMRXIRNLO-HNNXBMFYSA-N 1 1 384.343 2.812 20 30 GFEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNC(=S)NCCSC)c1C ZINC000769603003 656282162 /nfs/dbraw/zinc/28/21/62/656282162.db2.gz UGXGOERNCUZVOX-QGZVFWFLSA-N 1 1 381.615 2.750 20 30 GFEDMO C=CCS(=O)(=O)CC[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC000782968787 657197724 /nfs/dbraw/zinc/19/77/24/657197724.db2.gz RCHWHFJVMVGFOR-UHFFFAOYSA-N 1 1 381.929 2.892 20 30 GFEDMO N#Cc1ncc(Br)cc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000787889345 657616213 /nfs/dbraw/zinc/61/62/13/657616213.db2.gz MDNOIKSEYGQJGL-UHFFFAOYSA-N 1 1 387.281 2.917 20 30 GFEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000815054208 660107542 /nfs/dbraw/zinc/10/75/42/660107542.db2.gz BNZAZYKSIUUBQD-OAHLLOKOSA-N 1 1 382.245 2.568 20 30 GFEDMO CC(C)c1[nH+]ccn1CCNC(=O)Cc1ccc(Br)cc1C#N ZINC000845493701 661474466 /nfs/dbraw/zinc/47/44/66/661474466.db2.gz HMLAXMCCHJYKEE-UHFFFAOYSA-N 1 1 375.270 3.000 20 30 GFEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(Br)no3)CC2)cc1 ZINC000865894799 662449873 /nfs/dbraw/zinc/44/98/73/662449873.db2.gz BZLKEXYIIXZWLU-UHFFFAOYSA-N 1 1 389.253 2.657 20 30 GFEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(Br)no3)CC2)cc1 ZINC000865894799 662449876 /nfs/dbraw/zinc/44/98/76/662449876.db2.gz BZLKEXYIIXZWLU-UHFFFAOYSA-N 1 1 389.253 2.657 20 30 GFEDMO Cc1[nH+]c2c(n1CCO)CC[C@@H](Nc1c(Br)cccc1C#N)C2 ZINC000865903055 662450368 /nfs/dbraw/zinc/45/03/68/662450368.db2.gz CJKGWANLLLMHGJ-CYBMUJFWSA-N 1 1 375.270 2.787 20 30 GFEDMO C[NH+](C)C1(CS(=O)(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000866852230 662503851 /nfs/dbraw/zinc/50/38/51/662503851.db2.gz NSIPWHTXVSGUCW-UHFFFAOYSA-N 1 1 375.519 2.800 20 30 GFEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000885287401 663088675 /nfs/dbraw/zinc/08/86/75/663088675.db2.gz RAKFYWRVIICZDZ-XHNCKOQMSA-N 1 1 380.279 2.568 20 30 GFEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1Cl ZINC000886804127 663119304 /nfs/dbraw/zinc/11/93/04/663119304.db2.gz SIQXFVYXHZEEGA-OAHLLOKOSA-N 1 1 375.778 2.787 20 30 GFEDMO C#CCSCC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000891688850 663347475 /nfs/dbraw/zinc/34/74/75/663347475.db2.gz ZVXJQZFZJHAYPO-UHFFFAOYSA-N 1 1 381.339 2.896 20 30 GFEDMO C[C@H]1C[C@@H](NS(=O)(=O)Cc2csc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000914244020 664389979 /nfs/dbraw/zinc/38/99/79/664389979.db2.gz YRUOIOZYCALIRE-WMLDXEAASA-N 1 1 375.519 2.702 20 30 GFEDMO C[N@@H+]1CC[C@@H](CNS(=O)(=O)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000914306530 664397389 /nfs/dbraw/zinc/39/73/89/664397389.db2.gz NWSSPJDZKWFZBP-BBRMVZONSA-N 1 1 387.908 2.941 20 30 GFEDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000914306530 664397392 /nfs/dbraw/zinc/39/73/92/664397392.db2.gz NWSSPJDZKWFZBP-BBRMVZONSA-N 1 1 387.908 2.941 20 30 GFEDMO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000921989269 664580644 /nfs/dbraw/zinc/58/06/44/664580644.db2.gz ICCYIKAUCPXARO-GOSISDBHSA-N 1 1 399.292 2.997 20 30 GFEDMO CCOCC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941161 664843444 /nfs/dbraw/zinc/84/34/44/664843444.db2.gz ATLSQSVTMMLTIL-LPEHRKFASA-N 1 1 385.295 2.877 20 30 GFEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(CN3CCNC3=O)CC2)c1 ZINC000933581978 664869568 /nfs/dbraw/zinc/86/95/68/664869568.db2.gz VFTARPLXCFVTDC-UHFFFAOYSA-N 1 1 377.286 2.558 20 30 GFEDMO COc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncc1C#N ZINC001164839122 720507557 /nfs/dbraw/zinc/50/75/57/720507557.db2.gz SZBXRPVYEWGMGV-BHIYHBOVSA-N 1 1 380.496 2.536 20 30 GFEDMO C=CCOc1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164837989 720547826 /nfs/dbraw/zinc/54/78/26/720547826.db2.gz NCXSPEAJCUXMNU-SLFFLAALSA-N 1 1 396.539 2.924 20 30 GFEDMO N#Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1Cl ZINC001164744114 720813754 /nfs/dbraw/zinc/81/37/54/720813754.db2.gz HJVQNFVGKPQHDO-TXPKVOOTSA-N 1 1 397.914 2.578 20 30 GFEDMO N#Cc1c(Cl)ccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743314 720818619 /nfs/dbraw/zinc/81/86/19/720818619.db2.gz SDSBIZGSWCNFOE-FRQCXROJSA-N 1 1 397.914 2.578 20 30 GFEDMO N#Cc1cc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164741294 720823972 /nfs/dbraw/zinc/82/39/72/720823972.db2.gz NIICSZAZLCGFQQ-KFKAGJAMSA-N 1 1 397.914 2.578 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)cc(Cl)c4C#N)C[C@H]3C2)cn1 ZINC001164765482 721234995 /nfs/dbraw/zinc/23/49/95/721234995.db2.gz RLPMVAQDZAEZSH-UONOGXRCSA-N 1 1 391.306 2.952 20 30 GFEDMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2ccc(F)cc2)ccc1C#N ZINC001164932700 721850378 /nfs/dbraw/zinc/85/03/78/721850378.db2.gz ZOYWFCJXRDXNLS-RTWAWAEBSA-N 1 1 379.483 2.974 20 30 GFEDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2ccc(F)cc2)ccc1C#N ZINC001164932700 721850381 /nfs/dbraw/zinc/85/03/81/721850381.db2.gz ZOYWFCJXRDXNLS-RTWAWAEBSA-N 1 1 379.483 2.974 20 30 GFEDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccccc2C#N)[C@@H]1c1cccs1 ZINC000121953988 551293195 /nfs/dbraw/zinc/29/31/95/551293195.db2.gz FPCKKYYSIUTRNM-CRAIPNDOSA-N 1 1 375.519 2.981 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c(F)c1 ZINC000151017625 551405773 /nfs/dbraw/zinc/40/57/73/551405773.db2.gz SLGWFDQWSRTHCL-OAHLLOKOSA-N 1 1 379.482 2.874 20 30 GFEDMO C[NH+](C)CCCN(CCC#N)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000171765716 551662633 /nfs/dbraw/zinc/66/26/33/551662633.db2.gz DKLKUMBRSYFCSF-UHFFFAOYSA-N 1 1 378.274 2.633 20 30 GFEDMO C[N@@H+](Cc1ccc(Br)cc1C#N)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296673080 563296204 /nfs/dbraw/zinc/29/62/04/563296204.db2.gz KVGNKLLVKPRPBZ-HNNXBMFYSA-N 1 1 398.301 2.638 20 30 GFEDMO C[N@H+](Cc1ccc(Br)cc1C#N)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296673080 563296206 /nfs/dbraw/zinc/29/62/06/563296206.db2.gz KVGNKLLVKPRPBZ-HNNXBMFYSA-N 1 1 398.301 2.638 20 30 GFEDMO C[C@@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000373020984 563325863 /nfs/dbraw/zinc/32/58/63/563325863.db2.gz DKPGLWSPTHZWCS-ZDUSSCGKSA-N 1 1 376.507 2.519 20 30 GFEDMO COc1ccc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1Br ZINC000373402979 563336993 /nfs/dbraw/zinc/33/69/93/563336993.db2.gz DWMDSXFHYFSNLI-UHFFFAOYSA-N 1 1 376.258 2.758 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@](C)(C(=O)NC)C2)cc1OC ZINC000281165431 563368442 /nfs/dbraw/zinc/36/84/42/563368442.db2.gz QFBDPZRHLGATJM-SFHVURJKSA-N 1 1 397.313 2.981 20 30 GFEDMO C[C@@](C#N)(NC(=O)C[NH2+][C@@H]1CCOc2c(Br)cccc21)C1CC1 ZINC000282157724 563399651 /nfs/dbraw/zinc/39/96/51/563399651.db2.gz UAHYTBSXTHVYDB-PBHICJAKSA-N 1 1 378.270 2.671 20 30 GFEDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1cccc(Cl)c1 ZINC000376273841 563435920 /nfs/dbraw/zinc/43/59/20/563435920.db2.gz MILCHHUKJNUZNA-GUYCJALGSA-N 1 1 379.869 2.776 20 30 GFEDMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)s1 ZINC000328830380 563466331 /nfs/dbraw/zinc/46/63/31/563466331.db2.gz JWCHVVMHKQFZPB-IUODEOHRSA-N 1 1 385.555 2.649 20 30 GFEDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000377389580 563473141 /nfs/dbraw/zinc/47/31/41/563473141.db2.gz NCTXWMBTYCOBIW-FUHWJXTLSA-N 1 1 375.519 2.732 20 30 GFEDMO O=C(NCC[NH+]1CCSCC1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000329436299 563480024 /nfs/dbraw/zinc/48/00/24/563480024.db2.gz LWPIYZSCGWLFJX-OAHLLOKOSA-N 1 1 399.969 2.860 20 30 GFEDMO O=C(CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)Nc1ccc(Br)cc1F ZINC000330099777 563495230 /nfs/dbraw/zinc/49/52/30/563495230.db2.gz DKVZHJZOBGDNAI-GFCCVEGCSA-N 1 1 399.220 2.643 20 30 GFEDMO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(Br)cn2)CC[N@H+]1CCOC ZINC000331065512 563533720 /nfs/dbraw/zinc/53/37/20/563533720.db2.gz QKIVFYVROWBXCE-DZGCQCFKSA-N 1 1 399.333 2.862 20 30 GFEDMO N#Cc1ccc(Br)cc1S(=O)(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000332469612 563600435 /nfs/dbraw/zinc/60/04/35/563600435.db2.gz RZDDPEXUYVJLAU-UHFFFAOYSA-N 1 1 398.326 2.570 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000289599735 563680253 /nfs/dbraw/zinc/68/02/53/563680253.db2.gz KTUHRHJGWGZTGQ-ZDUSSCGKSA-N 1 1 381.929 2.683 20 30 GFEDMO CCc1cnc(N2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)s1 ZINC000438820178 563711990 /nfs/dbraw/zinc/71/19/90/563711990.db2.gz OTQYCWCTKRHIHL-UHFFFAOYSA-N 1 1 375.523 2.789 20 30 GFEDMO [NH3+]CC(F)(F)CNC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000415547632 563783952 /nfs/dbraw/zinc/78/39/52/563783952.db2.gz ZMLYEIYYEQIDRY-VIFPVBQESA-N 1 1 377.260 2.785 20 30 GFEDMO C[N@@H+](CCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C1CC1 ZINC000416501049 563839985 /nfs/dbraw/zinc/83/99/85/563839985.db2.gz JOMVLMUHQAMQBL-UHFFFAOYSA-N 1 1 375.416 2.730 20 30 GFEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449813759 564203030 /nfs/dbraw/zinc/20/30/30/564203030.db2.gz IQYIQKOZTSZEEL-CQSZACIVSA-N 1 1 394.313 2.936 20 30 GFEDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000450097407 564216286 /nfs/dbraw/zinc/21/62/86/564216286.db2.gz OMEKDJVATZBLOW-WBMJQRKESA-N 1 1 380.286 2.544 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000564589995 564240435 /nfs/dbraw/zinc/24/04/35/564240435.db2.gz GAMAPPMHECAVND-ZDUSSCGKSA-N 1 1 392.297 2.939 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000564589995 564240436 /nfs/dbraw/zinc/24/04/36/564240436.db2.gz GAMAPPMHECAVND-ZDUSSCGKSA-N 1 1 392.297 2.939 20 30 GFEDMO N#Cc1ccc(OCC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1Br ZINC000451199997 564286427 /nfs/dbraw/zinc/28/64/27/564286427.db2.gz FZHXBAQAZBHAJT-OAHLLOKOSA-N 1 1 392.297 2.833 20 30 GFEDMO N#Cc1ccc(OCC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1Br ZINC000451199991 564286593 /nfs/dbraw/zinc/28/65/93/564286593.db2.gz FZHXBAQAZBHAJT-HNNXBMFYSA-N 1 1 392.297 2.833 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451899376 564363353 /nfs/dbraw/zinc/36/33/53/564363353.db2.gz YUFUOXHSWSYYDO-GUTXKFCHSA-N 1 1 376.444 2.896 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451899376 564363354 /nfs/dbraw/zinc/36/33/54/564363354.db2.gz YUFUOXHSWSYYDO-GUTXKFCHSA-N 1 1 376.444 2.896 20 30 GFEDMO C=C(C)CN(C)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000455891088 564578524 /nfs/dbraw/zinc/57/85/24/564578524.db2.gz GFTFZJORXDIWIW-UHFFFAOYSA-N 1 1 382.306 2.636 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000573959023 564661992 /nfs/dbraw/zinc/66/19/92/564661992.db2.gz FLBMEOAIPZKFRD-OLZOCXBDSA-N 1 1 381.929 2.658 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000558709815 564912327 /nfs/dbraw/zinc/91/23/27/564912327.db2.gz KLSRWDDFEZVPHD-GOSISDBHSA-N 1 1 377.897 2.934 20 30 GFEDMO Cc1cnn(CC[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c1 ZINC000560162538 564952577 /nfs/dbraw/zinc/95/25/77/564952577.db2.gz DBMFNWWHNZGJPG-SFHVURJKSA-N 1 1 388.313 2.837 20 30 GFEDMO C=CCCCCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467193934 564958407 /nfs/dbraw/zinc/95/84/07/564958407.db2.gz HSXGYMGDABAWTO-UHFFFAOYSA-N 1 1 382.302 2.922 20 30 GFEDMO CC(C)(C#N)CC[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000537385280 565057898 /nfs/dbraw/zinc/05/78/98/565057898.db2.gz MGDSQWMENAVVCT-UHFFFAOYSA-N 1 1 394.313 2.912 20 30 GFEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593101664 565314002 /nfs/dbraw/zinc/31/40/02/565314002.db2.gz QYWAKGLJYVCSSU-PBHICJAKSA-N 1 1 376.298 2.806 20 30 GFEDMO N#CCc1cccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000619473648 565343387 /nfs/dbraw/zinc/34/33/87/565343387.db2.gz SZUIAPBHDVWJEU-QGZVFWFLSA-N 1 1 375.519 2.930 20 30 GFEDMO C[N@@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1ccsc1C#N)C1CC1 ZINC000593578714 565344107 /nfs/dbraw/zinc/34/41/07/565344107.db2.gz NLEAMCYERZOJQR-MRXNPFEDSA-N 1 1 375.519 2.809 20 30 GFEDMO C[N@H+]1CCC[C@@H](N2CCN(c3cc(Br)c(C#N)cc3F)CC2)C1 ZINC000594556846 565399472 /nfs/dbraw/zinc/39/94/72/565399472.db2.gz TVUSHBLLRRLUPX-CQSZACIVSA-N 1 1 381.293 2.676 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000594748754 565414596 /nfs/dbraw/zinc/41/45/96/565414596.db2.gz OCFGUYPDJHLULQ-HZPDHXFCSA-N 1 1 375.519 2.987 20 30 GFEDMO CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000595383050 565471153 /nfs/dbraw/zinc/47/11/53/565471153.db2.gz YNNWQFRUGWCZIZ-UHFFFAOYSA-N 1 1 377.432 2.976 20 30 GFEDMO N#CC1(C[C@H](O)C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000599341129 565670961 /nfs/dbraw/zinc/67/09/61/565670961.db2.gz HDVGUBVTOCZFEF-HNNXBMFYSA-N 1 1 387.307 2.859 20 30 GFEDMO C[N@H+]1CCCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000599414738 565677005 /nfs/dbraw/zinc/67/70/05/565677005.db2.gz HOFMKXFZXOYGOS-LBPRGKRZSA-N 1 1 375.416 2.587 20 30 GFEDMO C=CC[NH+](CC=C)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000674709413 565881753 /nfs/dbraw/zinc/88/17/53/565881753.db2.gz MOHCILDHICJAPC-UHFFFAOYSA-N 1 1 398.370 2.829 20 30 GFEDMO C=CCSCCNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000735436882 598852215 /nfs/dbraw/zinc/85/22/15/598852215.db2.gz SHOJFSHFKMBQTB-UHFFFAOYSA-N 1 1 378.408 2.769 20 30 GFEDMO CC(N=Nc1ccc(-c2nn[nH]n2)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735450808 599285234 /nfs/dbraw/zinc/28/52/34/599285234.db2.gz DPOVHETUWVDQME-LJQANCHMSA-N 1 1 377.452 2.556 20 30 GFEDMO CC(N=Nc1ccc(-c2nn[nH]n2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735450808 599285235 /nfs/dbraw/zinc/28/52/35/599285235.db2.gz DPOVHETUWVDQME-LJQANCHMSA-N 1 1 377.452 2.556 20 30 GFEDMO Cc1sc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)c(-c2nn[nH]n2)c1C ZINC000826349740 608532561 /nfs/dbraw/zinc/53/25/61/608532561.db2.gz SPPCOFJYOQLZMP-UHFFFAOYSA-N 1 1 393.476 2.634 20 30 GFEDMO N#CCCC[C@@H]([NH3+])c1nc(COc2ccc(I)cc2)no1 ZINC000823168235 660363814 /nfs/dbraw/zinc/36/38/14/660363814.db2.gz SMHMKHXEPFPRRB-GFCCVEGCSA-N 1 1 398.204 2.947 20 30 GFEDMO C=C(C)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)CC)ccc2Cl)CC1 ZINC000118334484 655274862 /nfs/dbraw/zinc/27/48/62/655274862.db2.gz MVAUDVYTGQXIPD-UHFFFAOYSA-N 1 1 384.929 2.904 20 30 GFEDMO C=CCOc1ccc(C[N@@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000120117833 655328195 /nfs/dbraw/zinc/32/81/95/655328195.db2.gz NHVHTRPAWXPJSI-MRXNPFEDSA-N 1 1 387.929 2.930 20 30 GFEDMO C=CCOc1ccc(C[N@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000120117833 655328198 /nfs/dbraw/zinc/32/81/98/655328198.db2.gz NHVHTRPAWXPJSI-MRXNPFEDSA-N 1 1 387.929 2.930 20 30 GFEDMO N#CCCOCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000292718630 655353878 /nfs/dbraw/zinc/35/38/78/655353878.db2.gz AJXLHYPTKMUSCI-QGZVFWFLSA-N 1 1 377.286 2.562 20 30 GFEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261855067 655442643 /nfs/dbraw/zinc/44/26/43/655442643.db2.gz RWIKFZFFTGCSQG-KRWDZBQOSA-N 1 1 375.881 2.855 20 30 GFEDMO C#CCC[NH+]1CCN(C(=O)Cn2c(C)c(Br)c3ccccc32)CC1 ZINC000744364653 655739305 /nfs/dbraw/zinc/73/93/05/655739305.db2.gz WUCGYJNCCDJYQA-UHFFFAOYSA-N 1 1 388.309 2.880 20 30 GFEDMO Brc1ccc2c(c1)C(=NNCCC[NH+]1CCOCC1)CCS2 ZINC000799489514 659194085 /nfs/dbraw/zinc/19/40/85/659194085.db2.gz WCFGFBNUWVXONA-UHFFFAOYSA-N 1 1 384.343 2.961 20 30 GFEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000815049050 660107198 /nfs/dbraw/zinc/10/71/98/660107198.db2.gz WELHTNCBEAVYOO-HNNXBMFYSA-N 1 1 382.245 2.568 20 30 GFEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000815054207 660107685 /nfs/dbraw/zinc/10/76/85/660107685.db2.gz BNZAZYKSIUUBQD-HNNXBMFYSA-N 1 1 382.245 2.568 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000815861732 660133122 /nfs/dbraw/zinc/13/31/22/660133122.db2.gz XEGXWVCKJJUARJ-UHFFFAOYSA-N 1 1 376.671 2.657 20 30 GFEDMO C#CC1CC[NH+](Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)CC1 ZINC000843426961 661381295 /nfs/dbraw/zinc/38/12/95/661381295.db2.gz OSBFGLANLQGIRZ-ZDUSSCGKSA-N 1 1 379.298 2.808 20 30 GFEDMO CC1(C)OC[C@@H](C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)O1 ZINC000851884585 661843059 /nfs/dbraw/zinc/84/30/59/661843059.db2.gz FLUJVOZHHCGLDF-IAGOWNOFSA-N 1 1 394.313 2.783 20 30 GFEDMO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ccc([N+](=O)[O-])cc1Br ZINC000857212090 662068194 /nfs/dbraw/zinc/06/81/94/662068194.db2.gz RXLJMSMGSVDKFH-KBPBESRZSA-N 1 1 380.246 2.941 20 30 GFEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000863315384 662319949 /nfs/dbraw/zinc/31/99/49/662319949.db2.gz VMHQEYRVXOYLAL-CABCVRRESA-N 1 1 377.535 2.923 20 30 GFEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000863315384 662319954 /nfs/dbraw/zinc/31/99/54/662319954.db2.gz VMHQEYRVXOYLAL-CABCVRRESA-N 1 1 377.535 2.923 20 30 GFEDMO C#CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](c2ccc(Br)cc2)C1)C(=O)OC ZINC000877584246 662879492 /nfs/dbraw/zinc/87/94/92/662879492.db2.gz YDBRSVDEYSPCDN-IKGGRYGDSA-N 1 1 379.298 2.739 20 30 GFEDMO C#CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](c2ccc(Br)cc2)C1)C(=O)OC ZINC000877584246 662879494 /nfs/dbraw/zinc/87/94/94/662879494.db2.gz YDBRSVDEYSPCDN-IKGGRYGDSA-N 1 1 379.298 2.739 20 30 GFEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885286505 663088482 /nfs/dbraw/zinc/08/84/82/663088482.db2.gz FTHKMUAUFWFHSC-IUCAKERBSA-N 1 1 382.295 2.956 20 30 GFEDMO C[N@@H+]1CC[C@@H](NC(=O)NCc2nc(C#N)cs2)[C@H]1c1ccc(Cl)cc1 ZINC000893893664 663430468 /nfs/dbraw/zinc/43/04/68/663430468.db2.gz COMIGBJCKWJROB-GDBMZVCRSA-N 1 1 375.885 2.913 20 30 GFEDMO C[N@H+]1CC[C@@H](NC(=O)NCc2nc(C#N)cs2)[C@H]1c1ccc(Cl)cc1 ZINC000893893664 663430474 /nfs/dbraw/zinc/43/04/74/663430474.db2.gz COMIGBJCKWJROB-GDBMZVCRSA-N 1 1 375.885 2.913 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC1 ZINC000906926665 663982770 /nfs/dbraw/zinc/98/27/70/663982770.db2.gz WTJLNASIOLRHOH-UHFFFAOYSA-N 1 1 398.326 2.859 20 30 GFEDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906980451 663988254 /nfs/dbraw/zinc/98/82/54/663988254.db2.gz HUKKLJXJYBNPJC-UHFFFAOYSA-N 1 1 397.298 2.584 20 30 GFEDMO C#C[C@H](NC(=O)CC[NH+]1CCN(C(C)C)CC1)c1ccc(Br)cc1 ZINC000908516577 664111867 /nfs/dbraw/zinc/11/18/67/664111867.db2.gz JPNTVDNWOKNXLI-SFHVURJKSA-N 1 1 392.341 2.656 20 30 GFEDMO N#Cc1cc(CS(=O)(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cs1 ZINC000914114115 664377867 /nfs/dbraw/zinc/37/78/67/664377867.db2.gz PIGHVHXXLZNACE-QGZVFWFLSA-N 1 1 375.519 2.704 20 30 GFEDMO C[N@@H+]1CC[C@@H](CNS(=O)(=O)CC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000914306533 664397361 /nfs/dbraw/zinc/39/73/61/664397361.db2.gz NWSSPJDZKWFZBP-XJKSGUPXSA-N 1 1 387.908 2.941 20 30 GFEDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)CC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000914306533 664397364 /nfs/dbraw/zinc/39/73/64/664397364.db2.gz NWSSPJDZKWFZBP-XJKSGUPXSA-N 1 1 387.908 2.941 20 30 GFEDMO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCCc3c2cnn3CCO)c1 ZINC000921584373 664555595 /nfs/dbraw/zinc/55/55/95/664555595.db2.gz UWEAOUDMDYAVGB-MRXNPFEDSA-N 1 1 375.270 2.677 20 30 GFEDMO C[C@@H]1[C@H](C(=O)N2C[C@@H](CNc3nc(Cl)c(C#N)s3)[C@H](C)C2)CC[N@H+]1C ZINC001054675396 677674649 /nfs/dbraw/zinc/67/46/49/677674649.db2.gz CMPSEEFJOVLAAC-FDYHWXHSSA-N 1 1 381.933 2.515 20 30 GFEDMO COC(=O)c1cc(C#N)cnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628810 719108752 /nfs/dbraw/zinc/10/87/52/719108752.db2.gz OOBLPDKDONAAQZ-ICSRJNTNSA-N 1 1 376.460 2.841 20 30 GFEDMO Cc1ncc(C#N)c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164844487 720681442 /nfs/dbraw/zinc/68/14/42/720681442.db2.gz SIIMFDSMIZEFSI-HXUWFJFHSA-N 1 1 377.492 2.917 20 30 GFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C#N)cc(C)n3)C2)C1 ZINC001164781344 721372384 /nfs/dbraw/zinc/37/23/84/721372384.db2.gz ITJNOVJHPCQHQP-QFIPXVFZSA-N 1 1 395.507 2.986 20 30 GFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C#N)cc(C)n3)C2)C1 ZINC001164781344 721372386 /nfs/dbraw/zinc/37/23/86/721372386.db2.gz ITJNOVJHPCQHQP-QFIPXVFZSA-N 1 1 395.507 2.986 20 30 GFEDMO Cc1ccc([C@@H](C#N)c2ccc(N3CC[NH+](C[C@H]4CCCO4)CC3)nn2)cc1 ZINC001165037911 721901850 /nfs/dbraw/zinc/90/18/50/721901850.db2.gz NRVXTBQYRDTOKC-WOJBJXKFSA-N 1 1 377.492 2.742 20 30 GFEDMO N#Cc1c[nH]c2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ccc12 ZINC001164978454 722124360 /nfs/dbraw/zinc/12/43/60/722124360.db2.gz OQRDYBJUPPSGDE-PXNSSMCTSA-N 1 1 388.475 2.557 20 30 GFEDMO N#Cc1cc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ncc1Br ZINC000603407182 532694252 /nfs/dbraw/zinc/69/42/52/532694252.db2.gz BEWUFJCDKZYQCJ-INIZCTEOSA-N 1 1 387.281 2.894 20 30 GFEDMO CC[N@H+](CCOc1ccc(Br)cc1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000129724584 551359283 /nfs/dbraw/zinc/35/92/83/551359283.db2.gz WFNUPHOWBGLDOA-GOSISDBHSA-N 1 1 394.313 2.958 20 30 GFEDMO CC[N@@H+](CCOc1ccc(Br)cc1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000129724584 551359285 /nfs/dbraw/zinc/35/92/85/551359285.db2.gz WFNUPHOWBGLDOA-GOSISDBHSA-N 1 1 394.313 2.958 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000180185589 552216960 /nfs/dbraw/zinc/21/69/60/552216960.db2.gz MABKRHTZRJWVEY-RHSMWYFYSA-N 1 1 379.913 2.849 20 30 GFEDMO C=CC[C@H](CO)NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000183752550 552318494 /nfs/dbraw/zinc/31/84/94/552318494.db2.gz ORWBLKBVOMFUJQ-QGZVFWFLSA-N 1 1 396.329 2.650 20 30 GFEDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccccc1 ZINC000185533269 552365062 /nfs/dbraw/zinc/36/50/62/552365062.db2.gz LOEJMAAITIBKHQ-AEFFLSMTSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccccc1 ZINC000185533269 552365063 /nfs/dbraw/zinc/36/50/63/552365063.db2.gz LOEJMAAITIBKHQ-AEFFLSMTSA-N 1 1 375.881 2.935 20 30 GFEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000191789763 552537831 /nfs/dbraw/zinc/53/78/31/552537831.db2.gz SPPCCZPJDIPJLV-INIZCTEOSA-N 1 1 378.314 2.865 20 30 GFEDMO N#CCSCCC[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000369723337 563222586 /nfs/dbraw/zinc/22/25/86/563222586.db2.gz PWRJYHUYIHMHMU-UHFFFAOYSA-N 1 1 376.345 2.836 20 30 GFEDMO C[C@@H]1C[NH+](C[C@H]2CCCN2c2ncc(Br)cc2C#N)C[C@@H](C)O1 ZINC000295112130 563229383 /nfs/dbraw/zinc/22/93/83/563229383.db2.gz VMAHXTYFIZCPTM-XJKCOSOUSA-N 1 1 379.302 2.794 20 30 GFEDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000281205795 563369691 /nfs/dbraw/zinc/36/96/91/563369691.db2.gz PUHQOLWWLAUAOY-CYBMUJFWSA-N 1 1 375.416 2.682 20 30 GFEDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000282789924 563425027 /nfs/dbraw/zinc/42/50/27/563425027.db2.gz XRBQGGUSTADKHS-DGCLKSJQSA-N 1 1 375.416 2.680 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000284956520 563496962 /nfs/dbraw/zinc/49/69/62/563496962.db2.gz FHXBRQKRGRVLIG-CYBMUJFWSA-N 1 1 381.929 2.517 20 30 GFEDMO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCc2cccc(Br)c2C1 ZINC000330194172 563498590 /nfs/dbraw/zinc/49/85/90/563498590.db2.gz OPAFTYPRAWSREA-ZDUSSCGKSA-N 1 1 375.270 2.933 20 30 GFEDMO CC[C@@H]1CN(C(=O)Nc2ccc(Br)c(F)c2)CC[N@H+]1C[C@@H](C)O ZINC000330660719 563516115 /nfs/dbraw/zinc/51/61/15/563516115.db2.gz UXJGLNDUGSRYBA-DGCLKSJQSA-N 1 1 388.281 2.911 20 30 GFEDMO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CCSC1 ZINC000330999609 563530673 /nfs/dbraw/zinc/53/06/73/563530673.db2.gz WGQBABMJUFVQFD-OAHLLOKOSA-N 1 1 391.946 2.507 20 30 GFEDMO CC(C)[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000331025809 563532397 /nfs/dbraw/zinc/53/23/97/563532397.db2.gz AZLCHDBLYCZAMH-ZDUSSCGKSA-N 1 1 375.416 2.728 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433292594 563608383 /nfs/dbraw/zinc/60/83/83/563608383.db2.gz XZXQKGNOKOIXDX-DZGCQCFKSA-N 1 1 394.313 2.714 20 30 GFEDMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000333203105 563624239 /nfs/dbraw/zinc/62/42/39/563624239.db2.gz ZYQWDTFIOJJFCK-CYBMUJFWSA-N 1 1 396.563 2.527 20 30 GFEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)COc2cccc(Br)c2C#N)C1 ZINC000333568365 563635983 /nfs/dbraw/zinc/63/59/83/563635983.db2.gz PHWLDDLALUHXQE-XJKSGUPXSA-N 1 1 392.297 2.642 20 30 GFEDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000289789715 563686321 /nfs/dbraw/zinc/68/63/21/563686321.db2.gz IORQTVRLYNFWCI-CYBMUJFWSA-N 1 1 375.416 2.682 20 30 GFEDMO N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000443086130 563791100 /nfs/dbraw/zinc/79/11/00/563791100.db2.gz LZUGNWJNVQAHMW-OAHLLOKOSA-N 1 1 375.881 2.764 20 30 GFEDMO N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000443086130 563791101 /nfs/dbraw/zinc/79/11/01/563791101.db2.gz LZUGNWJNVQAHMW-OAHLLOKOSA-N 1 1 375.881 2.764 20 30 GFEDMO CCC[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[N@@H+]1CCOC ZINC000450325208 564227832 /nfs/dbraw/zinc/22/78/32/564227832.db2.gz SQOHVICPVODXND-OAHLLOKOSA-N 1 1 394.313 2.894 20 30 GFEDMO CCC[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[N@H+]1CCOC ZINC000450325208 564227836 /nfs/dbraw/zinc/22/78/36/564227836.db2.gz SQOHVICPVODXND-OAHLLOKOSA-N 1 1 394.313 2.894 20 30 GFEDMO N#Cc1cc(Br)cnc1NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000450411746 564231803 /nfs/dbraw/zinc/23/18/03/564231803.db2.gz OTKZZILZFWBFBO-DLBZAZTESA-N 1 1 387.281 2.763 20 30 GFEDMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000516217353 564497320 /nfs/dbraw/zinc/49/73/20/564497320.db2.gz GKLSZZBHHGTFAE-LBPRGKRZSA-N 1 1 388.331 2.719 20 30 GFEDMO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Br)cn1 ZINC000482978081 564555224 /nfs/dbraw/zinc/55/52/24/564555224.db2.gz ZAMBQQFFDVCXJS-GFCCVEGCSA-N 1 1 394.294 2.840 20 30 GFEDMO C=CCN(CC=C)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000455914906 564580489 /nfs/dbraw/zinc/58/04/89/564580489.db2.gz YSUGJLDBZGOPGI-UHFFFAOYSA-N 1 1 394.317 2.802 20 30 GFEDMO N#Cc1ccc(OCC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1Br ZINC000530024016 564860244 /nfs/dbraw/zinc/86/02/44/564860244.db2.gz ZTZHRLWFUFTAAI-OAHLLOKOSA-N 1 1 392.297 2.833 20 30 GFEDMO Cc1nsc(N2CC[NH+](C[C@@H](O)Cc3cccc(Cl)c3)CC2)c1C#N ZINC000558471111 564902801 /nfs/dbraw/zinc/90/28/01/564902801.db2.gz MQCPKIOWCKPADL-INIZCTEOSA-N 1 1 376.913 2.702 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000559759258 564940017 /nfs/dbraw/zinc/94/00/17/564940017.db2.gz OYBJMXKQJFPAJS-AWEZNQCLSA-N 1 1 383.945 2.764 20 30 GFEDMO C=CCC[N@H+](C)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000467288867 564960361 /nfs/dbraw/zinc/96/03/61/564960361.db2.gz KXTGKTZFMFYEMQ-UHFFFAOYSA-N 1 1 386.359 2.663 20 30 GFEDMO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000594607546 565403385 /nfs/dbraw/zinc/40/33/85/565403385.db2.gz XEKATNUQEQPGLN-QGZVFWFLSA-N 1 1 375.270 2.794 20 30 GFEDMO Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000594607546 565403388 /nfs/dbraw/zinc/40/33/88/565403388.db2.gz XEKATNUQEQPGLN-QGZVFWFLSA-N 1 1 375.270 2.794 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000594770513 565417885 /nfs/dbraw/zinc/41/78/85/565417885.db2.gz HDUZSNUAUQCNFN-HOCLYGCPSA-N 1 1 375.519 2.796 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000594770513 565417891 /nfs/dbraw/zinc/41/78/91/565417891.db2.gz HDUZSNUAUQCNFN-HOCLYGCPSA-N 1 1 375.519 2.796 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000594801872 565422760 /nfs/dbraw/zinc/42/27/60/565422760.db2.gz ULGAAILOICZLFG-GFCCVEGCSA-N 1 1 375.416 2.728 20 30 GFEDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000595620037 565486197 /nfs/dbraw/zinc/48/61/97/565486197.db2.gz AACMCETZYYRDTM-BDAKNGLRSA-N 1 1 387.267 2.874 20 30 GFEDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000595620037 565486204 /nfs/dbraw/zinc/48/62/04/565486204.db2.gz AACMCETZYYRDTM-BDAKNGLRSA-N 1 1 387.267 2.874 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)COc1cccc(Br)c1C#N ZINC000597860062 565578501 /nfs/dbraw/zinc/57/85/01/565578501.db2.gz KXFPEUIBNZQKMX-LBPRGKRZSA-N 1 1 380.286 2.689 20 30 GFEDMO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000599475894 565683528 /nfs/dbraw/zinc/68/35/28/565683528.db2.gz YRMBRXYOLXPUOW-CZUORRHYSA-N 1 1 381.259 2.928 20 30 GFEDMO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccncc3Br)C2=O)cc1 ZINC000601118119 565767437 /nfs/dbraw/zinc/76/74/37/565767437.db2.gz HJEBMVBCCDSKJT-KRWDZBQOSA-N 1 1 385.265 2.606 20 30 GFEDMO CC(C)[C@@H](C#N)N1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000602796645 565868435 /nfs/dbraw/zinc/86/84/35/565868435.db2.gz RIVMWXWCNKCIHR-FUHWJXTLSA-N 1 1 386.323 2.899 20 30 GFEDMO CN1CCC([NH+]2CCC(CC[N@@H+](C)[C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)CC1 ZINC000830923358 601323558 /nfs/dbraw/zinc/32/35/58/601323558.db2.gz IBGZSVXZZTXDKS-QFIPXVFZSA-N 1 1 398.551 2.812 20 30 GFEDMO N#Cc1ccc(OCCC[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826386068 608071130 /nfs/dbraw/zinc/07/11/30/608071130.db2.gz NSUGVJXLSLWZKT-FQEVSTJZSA-N 1 1 390.447 2.581 20 30 GFEDMO N#Cc1ccc(OCCC[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826386068 608071131 /nfs/dbraw/zinc/07/11/31/608071131.db2.gz NSUGVJXLSLWZKT-FQEVSTJZSA-N 1 1 390.447 2.581 20 30 GFEDMO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824046846 608465360 /nfs/dbraw/zinc/46/53/60/608465360.db2.gz WAUVDFASVKQUEG-OAHLLOKOSA-N 1 1 399.458 2.855 20 30 GFEDMO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824046846 608465361 /nfs/dbraw/zinc/46/53/61/608465361.db2.gz WAUVDFASVKQUEG-OAHLLOKOSA-N 1 1 399.458 2.855 20 30 GFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000824035193 608853713 /nfs/dbraw/zinc/85/37/13/608853713.db2.gz SZQIAGWBCWJGDE-QRWLVFNGSA-N 1 1 390.447 2.731 20 30 GFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000824035193 608853715 /nfs/dbraw/zinc/85/37/15/608853715.db2.gz SZQIAGWBCWJGDE-QRWLVFNGSA-N 1 1 390.447 2.731 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(I)c(C)cc1C ZINC000818589327 660229025 /nfs/dbraw/zinc/22/90/25/660229025.db2.gz WQSZNUOKXVLDML-UHFFFAOYSA-N 1 1 384.261 2.593 20 30 GFEDMO C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](CO)c1cccc(Br)c1 ZINC000125525390 654796681 /nfs/dbraw/zinc/79/66/81/654796681.db2.gz DNRCFOVOUBRIQH-MRXNPFEDSA-N 1 1 394.313 2.757 20 30 GFEDMO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](CO)c1cccc(Br)c1 ZINC000125525390 654796683 /nfs/dbraw/zinc/79/66/83/654796683.db2.gz DNRCFOVOUBRIQH-MRXNPFEDSA-N 1 1 394.313 2.757 20 30 GFEDMO C[C@H]1CCCC[N@@H+]1CC(N)=NOCc1nnc(-c2ccc(Br)o2)o1 ZINC000111179362 655166109 /nfs/dbraw/zinc/16/61/09/655166109.db2.gz QYGWDQPVTICQQC-JTQLQIEISA-N 1 1 398.261 2.755 20 30 GFEDMO C[C@H]1CCCC[N@H+]1CC(N)=NOCc1nnc(-c2ccc(Br)o2)o1 ZINC000111179362 655166111 /nfs/dbraw/zinc/16/61/11/655166111.db2.gz QYGWDQPVTICQQC-JTQLQIEISA-N 1 1 398.261 2.755 20 30 GFEDMO C[C@@]([NH2+]CCC(=O)Nc1sccc1C#N)(C(N)=O)c1cccc(Cl)c1 ZINC000177412440 655275952 /nfs/dbraw/zinc/27/59/52/655275952.db2.gz POXXMSCIYVEEEW-KRWDZBQOSA-N 1 1 376.869 2.592 20 30 GFEDMO COC(=O)CC[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H]1CCCO1 ZINC000574346667 655429486 /nfs/dbraw/zinc/42/94/86/655429486.db2.gz NNPHIPLAPUUBRG-HNNXBMFYSA-N 1 1 381.270 2.865 20 30 GFEDMO COC(=O)CC[N@H+](Cc1cc(C#N)ccc1Br)C[C@@H]1CCCO1 ZINC000574346667 655429490 /nfs/dbraw/zinc/42/94/90/655429490.db2.gz NNPHIPLAPUUBRG-HNNXBMFYSA-N 1 1 381.270 2.865 20 30 GFEDMO C[NH+]=C(NCc1cn[nH]c1C)NCC1(c2ccccc2Br)CC1 ZINC000262475913 655445973 /nfs/dbraw/zinc/44/59/73/655445973.db2.gz HJSAXDLCVBYUGS-UHFFFAOYSA-N 1 1 376.302 2.877 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000729809986 655568662 /nfs/dbraw/zinc/56/86/62/655568662.db2.gz QGTKNJIXVYUENZ-CJNGLKHVSA-N 1 1 378.881 2.784 20 30 GFEDMO CCOCCC[N@H+]1CCC(=NNC(=S)NCCc2cccs2)[C@H](C)C1 ZINC000735226912 655642632 /nfs/dbraw/zinc/64/26/32/655642632.db2.gz FLGZTNVYENZGKY-OAHLLOKOSA-N 1 1 382.599 2.879 20 30 GFEDMO N#Cc1c(F)cccc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000750971139 655819368 /nfs/dbraw/zinc/81/93/68/655819368.db2.gz FCRMLPRFFXKOTB-HNNXBMFYSA-N 1 1 379.482 2.874 20 30 GFEDMO Fc1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)c(Cl)c1Cl ZINC000761750130 656020548 /nfs/dbraw/zinc/02/05/48/656020548.db2.gz WCLWUPUWDHYPBZ-UHFFFAOYSA-N 1 1 393.315 2.653 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnn(-c2ccccc2)c1Br ZINC000791799406 658179901 /nfs/dbraw/zinc/17/99/01/658179901.db2.gz CYTNKFZUFIKXPS-OAHLLOKOSA-N 1 1 388.265 2.889 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnn(-c2ccccc2)c1Br ZINC000791799406 658179946 /nfs/dbraw/zinc/17/99/46/658179946.db2.gz CYTNKFZUFIKXPS-OAHLLOKOSA-N 1 1 388.265 2.889 20 30 GFEDMO C[NH+]1CCN(c2ncc(C=NNCc3c(Cl)cccc3Cl)cn2)CC1 ZINC000793118185 658360778 /nfs/dbraw/zinc/36/07/78/658360778.db2.gz WJYPPIMUJPVQQC-UHFFFAOYSA-N 1 1 379.295 2.659 20 30 GFEDMO C#CCN(C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000809946008 659952783 /nfs/dbraw/zinc/95/27/83/659952783.db2.gz KMIMKMLQARDPTK-FUHWJXTLSA-N 1 1 393.325 2.663 20 30 GFEDMO C#CC1CC[NH+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CC1 ZINC000842633543 661346803 /nfs/dbraw/zinc/34/68/03/661346803.db2.gz KIJKWAZDYQGGCG-GOSISDBHSA-N 1 1 390.281 2.519 20 30 GFEDMO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ncc(Br)s2)cc1 ZINC000872238993 662758833 /nfs/dbraw/zinc/75/88/33/662758833.db2.gz BHBPSCBXHYCNMA-LBPRGKRZSA-N 1 1 382.283 2.501 20 30 GFEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883095076 663048812 /nfs/dbraw/zinc/04/88/12/663048812.db2.gz SCKANZBVEVKTAN-NEPJUHHUSA-N 1 1 378.274 2.806 20 30 GFEDMO CC[N@H+](CCNS(=O)(=O)c1ccc(CCC#N)cc1)CCC(F)(F)F ZINC000885139345 663085136 /nfs/dbraw/zinc/08/51/36/663085136.db2.gz DLDIRTLBABWIQM-UHFFFAOYSA-N 1 1 377.432 2.695 20 30 GFEDMO CC[N@@H+](CCNS(=O)(=O)c1ccc(CCC#N)cc1)CCC(F)(F)F ZINC000885139345 663085138 /nfs/dbraw/zinc/08/51/38/663085138.db2.gz DLDIRTLBABWIQM-UHFFFAOYSA-N 1 1 377.432 2.695 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2cc(OC)c(OC)cc2Br)C1 ZINC000890374894 663297951 /nfs/dbraw/zinc/29/79/51/663297951.db2.gz OKDGAVMDBSDYGS-GFCCVEGCSA-N 1 1 396.285 2.685 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(OC)c(OC)cc2Br)C1 ZINC000890374894 663297956 /nfs/dbraw/zinc/29/79/56/663297956.db2.gz OKDGAVMDBSDYGS-GFCCVEGCSA-N 1 1 396.285 2.685 20 30 GFEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000923575923 664634181 /nfs/dbraw/zinc/63/41/81/664634181.db2.gz GINVTKFYGVSRKX-ZDUSSCGKSA-N 1 1 388.265 2.530 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000923575923 664634184 /nfs/dbraw/zinc/63/41/84/664634184.db2.gz GINVTKFYGVSRKX-ZDUSSCGKSA-N 1 1 388.265 2.530 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000931390366 664793577 /nfs/dbraw/zinc/79/35/77/664793577.db2.gz UHAFCDQJEWPELA-GFCCVEGCSA-N 1 1 388.269 2.611 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000931390366 664793578 /nfs/dbraw/zinc/79/35/78/664793578.db2.gz UHAFCDQJEWPELA-GFCCVEGCSA-N 1 1 388.269 2.611 20 30 GFEDMO C=C(Br)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC001040302499 665075866 /nfs/dbraw/zinc/07/58/66/665075866.db2.gz JNLLSHAZEPTGOW-ORVJBUBXSA-N 1 1 395.341 2.633 20 30 GFEDMO C=C(Br)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC001040302499 665075870 /nfs/dbraw/zinc/07/58/70/665075870.db2.gz JNLLSHAZEPTGOW-ORVJBUBXSA-N 1 1 395.341 2.633 20 30 GFEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(Cl)nc3C#N)CC[C@@H]21 ZINC001164840624 720518892 /nfs/dbraw/zinc/51/88/92/720518892.db2.gz WYLJUYUIQYUCOQ-VYDXJSESSA-N 1 1 385.903 2.576 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)c(Cl)cc4C#N)C[C@H]3C2)cn1 ZINC001164768272 721135168 /nfs/dbraw/zinc/13/51/68/721135168.db2.gz OARNHQIGEPYFIC-UKRRQHHQSA-N 1 1 391.306 2.952 20 30 GFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(C)c3C#N)C2)C1 ZINC001164778461 721337222 /nfs/dbraw/zinc/33/72/22/721337222.db2.gz XGDVJIVJBBOTOB-JOCHJYFZSA-N 1 1 395.507 2.986 20 30 GFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc(C)c3C#N)C2)C1 ZINC001164778461 721337226 /nfs/dbraw/zinc/33/72/26/721337226.db2.gz XGDVJIVJBBOTOB-JOCHJYFZSA-N 1 1 395.507 2.986 20 30 GFEDMO N#Cc1c[nH]c2nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)ccc12 ZINC001164905862 721539309 /nfs/dbraw/zinc/53/93/09/721539309.db2.gz JJNRLZGCAKANKB-FUHWJXTLSA-N 1 1 377.423 2.916 20 30 GFEDMO N#Cc1cc2c(nc1N1CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C1)CCC2 ZINC001164909216 721553670 /nfs/dbraw/zinc/55/36/70/721553670.db2.gz SZXWWLIBRSCZLU-ICSRJNTNSA-N 1 1 378.451 2.923 20 30 GFEDMO C=CCOc1cc(C)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164806674 721556425 /nfs/dbraw/zinc/55/64/25/721556425.db2.gz QQOAFVMSDYGXIL-IRFCIJBXSA-N 1 1 395.507 2.613 20 30 GFEDMO C=CCOc1cc(C)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164806674 721556426 /nfs/dbraw/zinc/55/64/26/721556426.db2.gz QQOAFVMSDYGXIL-IRFCIJBXSA-N 1 1 395.507 2.613 20 30 GFEDMO N#Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(C#N)c1 ZINC001164907071 721695537 /nfs/dbraw/zinc/69/55/37/721695537.db2.gz QVIBAXNPRLZYFL-HXUWFJFHSA-N 1 1 394.429 2.958 20 30 GFEDMO N#Cc1cc2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc2[nH]1 ZINC001164984596 722137906 /nfs/dbraw/zinc/13/79/06/722137906.db2.gz XMWZYFJOQQWMHB-LAUBAEHRSA-N 1 1 388.475 2.557 20 30 GFEDMO C=CC[N@@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000121583516 551237867 /nfs/dbraw/zinc/23/78/67/551237867.db2.gz UUDBHRDTVACWAE-UHFFFAOYSA-N 1 1 385.917 2.571 20 30 GFEDMO C=CCOc1c(Br)cc(C[NH+]2CCC(C(N)=O)CC2)cc1OC ZINC000158611062 551554208 /nfs/dbraw/zinc/55/42/08/551554208.db2.gz OBRSHCIJGVPBGS-UHFFFAOYSA-N 1 1 383.286 2.720 20 30 GFEDMO C[C@H]([NH2+]CC(=O)NCC#N)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184957038 552348825 /nfs/dbraw/zinc/34/88/25/552348825.db2.gz NDLYODHZSHUFJW-JTQLQIEISA-N 1 1 379.283 2.863 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1cccc(F)c1 ZINC000186082120 552378776 /nfs/dbraw/zinc/37/87/76/552378776.db2.gz HZVZYSMSHFBDKV-INIZCTEOSA-N 1 1 381.860 2.932 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000246579457 553110196 /nfs/dbraw/zinc/11/01/96/553110196.db2.gz SCMWTFOOFOBMBV-KBXCAEBGSA-N 1 1 379.913 2.849 20 30 GFEDMO C[C@H]1C[N@@H+](CCCNC(=O)c2ccc(Br)cc2C#N)CCCO1 ZINC000295235135 563237746 /nfs/dbraw/zinc/23/77/46/563237746.db2.gz ZOYBANJSFDPKFC-ZDUSSCGKSA-N 1 1 380.286 2.551 20 30 GFEDMO Cn1cncc1CC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000298345217 563351647 /nfs/dbraw/zinc/35/16/47/563351647.db2.gz JLYYIXUWCXNCJE-GOSISDBHSA-N 1 1 388.313 2.608 20 30 GFEDMO CN(C)c1nc(N2CCN(c3ccc(Br)cc3C#N)CC2)cc[nH+]1 ZINC000302157190 563421931 /nfs/dbraw/zinc/42/19/31/563421931.db2.gz IYUQADDMSUYULT-UHFFFAOYSA-N 1 1 387.285 2.503 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000310781948 563434998 /nfs/dbraw/zinc/43/49/98/563434998.db2.gz PAAMPBRDKGBLIN-INIZCTEOSA-N 1 1 375.881 2.764 20 30 GFEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000328936133 563469018 /nfs/dbraw/zinc/46/90/18/563469018.db2.gz COKRGJSLPBLNTL-HUUCEWRRSA-N 1 1 385.555 2.732 20 30 GFEDMO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(n3cc(Cl)cn3)CC2)C1=O ZINC000378589100 563511437 /nfs/dbraw/zinc/51/14/37/563511437.db2.gz NMQIWIYVGTYACZ-HNNXBMFYSA-N 1 1 375.885 2.912 20 30 GFEDMO CC[C@@H]1CN(C(=O)Nc2ccc(Br)c(F)c2)CC[N@H+]1C[C@H](C)O ZINC000330660720 563516353 /nfs/dbraw/zinc/51/63/53/563516353.db2.gz UXJGLNDUGSRYBA-WCQYABFASA-N 1 1 388.281 2.911 20 30 GFEDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(F)c(Br)cc2F)[C@@H](C)C1 ZINC000331206138 563540039 /nfs/dbraw/zinc/54/00/39/563540039.db2.gz ZKNHUACLLAJGOX-VHSXEESVSA-N 1 1 392.244 2.660 20 30 GFEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cc(F)c(Br)cc2F)[C@@H](C)C1 ZINC000331206138 563540042 /nfs/dbraw/zinc/54/00/42/563540042.db2.gz ZKNHUACLLAJGOX-VHSXEESVSA-N 1 1 392.244 2.660 20 30 GFEDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408007812 563541026 /nfs/dbraw/zinc/54/10/26/563541026.db2.gz JLKMGXVNAKLVLH-OLZOCXBDSA-N 1 1 398.326 2.568 20 30 GFEDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cccc(C#N)c1Br ZINC000331337234 563546717 /nfs/dbraw/zinc/54/67/17/563546717.db2.gz QSLCBPYQUOJVMC-UHFFFAOYSA-N 1 1 394.313 2.751 20 30 GFEDMO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000435162400 563644084 /nfs/dbraw/zinc/64/40/84/563644084.db2.gz JZGWURFOKVOKEY-GFCCVEGCSA-N 1 1 375.416 2.587 20 30 GFEDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416407896 563823886 /nfs/dbraw/zinc/82/38/86/563823886.db2.gz MSUNDWYPYZJZPV-UHFFFAOYSA-N 1 1 397.298 2.584 20 30 GFEDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)COc1cccc(Br)c1C#N ZINC000449881400 564207524 /nfs/dbraw/zinc/20/75/24/564207524.db2.gz DHYCVPLIZWEMKP-KGLIPLIRSA-N 1 1 392.297 2.785 20 30 GFEDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449881171 564207887 /nfs/dbraw/zinc/20/78/87/564207887.db2.gz CFHVPDBDGQTZPA-DZGCQCFKSA-N 1 1 392.297 2.785 20 30 GFEDMO Cc1cc(N(CCC#N)C(=O)CSC[C@H]2C[N@H+](C)CCO2)ccc1Cl ZINC000564957786 564258786 /nfs/dbraw/zinc/25/87/86/564258786.db2.gz DCTYMSDYGRLPEW-MRXNPFEDSA-N 1 1 381.929 2.959 20 30 GFEDMO Cc1cc(N(CCC#N)C(=O)CSC[C@H]2C[N@@H+](C)CCO2)ccc1Cl ZINC000564957786 564258789 /nfs/dbraw/zinc/25/87/89/564258789.db2.gz DCTYMSDYGRLPEW-MRXNPFEDSA-N 1 1 381.929 2.959 20 30 GFEDMO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000508827672 564274331 /nfs/dbraw/zinc/27/43/31/564274331.db2.gz MXRFILSZWQUEGG-OAHLLOKOSA-N 1 1 393.333 2.998 20 30 GFEDMO N#Cc1ccc(CS(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000571298516 564544777 /nfs/dbraw/zinc/54/47/77/564544777.db2.gz DZXDRNXCILVYOA-GOSISDBHSA-N 1 1 375.881 2.688 20 30 GFEDMO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000483254692 564561460 /nfs/dbraw/zinc/56/14/60/564561460.db2.gz HFKPJPZAHZLDIR-GUYCJALGSA-N 1 1 381.259 2.928 20 30 GFEDMO C[N@@H+](CCCCNC(=O)COc1ccc(C#N)c(Br)c1)C1CC1 ZINC000457171101 564650794 /nfs/dbraw/zinc/65/07/94/564650794.db2.gz HACSDBGZKZEXTB-UHFFFAOYSA-N 1 1 380.286 2.690 20 30 GFEDMO C[C@@H]1C[NH+](C[C@@H](O)CSc2nc(C(F)(F)F)ccc2C#N)C[C@@H](C)O1 ZINC000488583920 564715859 /nfs/dbraw/zinc/71/58/59/564715859.db2.gz PTBXKXOUQLCGKM-NQBHXWOUSA-N 1 1 375.416 2.534 20 30 GFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(Br)c(F)c1F ZINC000528425141 564784014 /nfs/dbraw/zinc/78/40/14/564784014.db2.gz NFKQAXQTCGXUDI-UHFFFAOYSA-N 1 1 384.228 2.799 20 30 GFEDMO C=CCC[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000467297267 564960388 /nfs/dbraw/zinc/96/03/88/564960388.db2.gz FRTKUTBYUBNJQS-UHFFFAOYSA-N 1 1 382.302 2.662 20 30 GFEDMO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1nc(C#N)cs1 ZINC000589311582 565161627 /nfs/dbraw/zinc/16/16/27/565161627.db2.gz SOCSDTHDCQBRQH-UHFFFAOYSA-N 1 1 393.310 2.916 20 30 GFEDMO N#Cc1cc(Br)ccc1NCC1([NH+]2CCOCC2)CCOCC1 ZINC000591175440 565218635 /nfs/dbraw/zinc/21/86/35/565218635.db2.gz VPEQAHOQMQJADA-UHFFFAOYSA-N 1 1 380.286 2.614 20 30 GFEDMO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592523396 565281115 /nfs/dbraw/zinc/28/11/15/565281115.db2.gz ZOMNOABOCZNICF-KRWDZBQOSA-N 1 1 375.270 2.794 20 30 GFEDMO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592523396 565281118 /nfs/dbraw/zinc/28/11/18/565281118.db2.gz ZOMNOABOCZNICF-KRWDZBQOSA-N 1 1 375.270 2.794 20 30 GFEDMO CCCN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CC[N@@H+](C)C1 ZINC000592829688 565299149 /nfs/dbraw/zinc/29/91/49/565299149.db2.gz VLPNHTHHJSSTNP-ZDUSSCGKSA-N 1 1 380.286 2.642 20 30 GFEDMO CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccsc1C#N ZINC000593575312 565343849 /nfs/dbraw/zinc/34/38/49/565343849.db2.gz GAZJMZDQVGWXAI-MRXNPFEDSA-N 1 1 375.519 2.905 20 30 GFEDMO CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccsc1C#N ZINC000593575312 565343853 /nfs/dbraw/zinc/34/38/53/565343853.db2.gz GAZJMZDQVGWXAI-MRXNPFEDSA-N 1 1 375.519 2.905 20 30 GFEDMO N#Cc1ccc(OCC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1Br ZINC000594198936 565378789 /nfs/dbraw/zinc/37/87/89/565378789.db2.gz VVPZMAPWDNZMOG-DLBZAZTESA-N 1 1 392.297 2.833 20 30 GFEDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)COc1cccc(Br)c1C#N)C2 ZINC000597709952 565570989 /nfs/dbraw/zinc/57/09/89/565570989.db2.gz FAGOCIAXCAAURZ-SFHVURJKSA-N 1 1 392.297 2.644 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000656985036 566200228 /nfs/dbraw/zinc/20/02/28/566200228.db2.gz LTHOPPDNQPUGBE-BLLLJJGKSA-N 1 1 398.301 2.855 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000656985036 566200231 /nfs/dbraw/zinc/20/02/31/566200231.db2.gz LTHOPPDNQPUGBE-BLLLJJGKSA-N 1 1 398.301 2.855 20 30 GFEDMO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+](CCC#N)CCC(C)C ZINC000737524597 598851802 /nfs/dbraw/zinc/85/18/02/598851802.db2.gz OBRCUXLFTDNMMV-UHFFFAOYSA-N 1 1 379.472 2.653 20 30 GFEDMO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+](CCC#N)CCC(C)C ZINC000737524597 598851803 /nfs/dbraw/zinc/85/18/03/598851803.db2.gz OBRCUXLFTDNMMV-UHFFFAOYSA-N 1 1 379.472 2.653 20 30 GFEDMO CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736800107 598982387 /nfs/dbraw/zinc/98/23/87/598982387.db2.gz IZLLOEIIJWAGPE-UHFFFAOYSA-N 1 1 375.480 2.692 20 30 GFEDMO CN(CCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(C#N)cc1 ZINC000736800107 598982389 /nfs/dbraw/zinc/98/23/89/598982389.db2.gz IZLLOEIIJWAGPE-UHFFFAOYSA-N 1 1 375.480 2.692 20 30 GFEDMO CN(CCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(C#N)cc1 ZINC000736800107 598982393 /nfs/dbraw/zinc/98/23/93/598982393.db2.gz IZLLOEIIJWAGPE-UHFFFAOYSA-N 1 1 375.480 2.692 20 30 GFEDMO N#Cc1ccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c(F)c1 ZINC000737711376 598249461 /nfs/dbraw/zinc/24/94/61/598249461.db2.gz IXUMUIZGVYCVFT-UHFFFAOYSA-N 1 1 378.411 2.921 20 30 GFEDMO C=CC[N@@H+](CCC(=O)NCC1CCCCC1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735419265 598557831 /nfs/dbraw/zinc/55/78/31/598557831.db2.gz REKGYEYUUXKDCL-UHFFFAOYSA-N 1 1 382.512 2.941 20 30 GFEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000832671946 660793892 /nfs/dbraw/zinc/79/38/92/660793892.db2.gz GUHIQJGFQPAXNN-SKDZVZGDSA-N 1 1 396.329 2.857 20 30 GFEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000832671946 660793896 /nfs/dbraw/zinc/79/38/96/660793896.db2.gz GUHIQJGFQPAXNN-SKDZVZGDSA-N 1 1 396.329 2.857 20 30 GFEDMO C#C[C@@H](NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000836519942 660913171 /nfs/dbraw/zinc/91/31/71/660913171.db2.gz OZJIVRHNXLTLNC-SJLPKXTDSA-N 1 1 376.298 2.861 20 30 GFEDMO C#CCOc1ccc(Br)cc1C[NH2+]CC(=O)NCc1ccccc1 ZINC000042230411 654636005 /nfs/dbraw/zinc/63/60/05/654636005.db2.gz DARLOKWZZQDUBV-UHFFFAOYSA-N 1 1 387.277 2.867 20 30 GFEDMO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000055592996 654779138 /nfs/dbraw/zinc/77/91/38/654779138.db2.gz CLRFDZZOLJSOFU-GFCCVEGCSA-N 1 1 375.416 2.587 20 30 GFEDMO C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H](CO)c1cccc(Br)c1 ZINC000125525200 654796613 /nfs/dbraw/zinc/79/66/13/654796613.db2.gz DNRCFOVOUBRIQH-INIZCTEOSA-N 1 1 394.313 2.757 20 30 GFEDMO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H](CO)c1cccc(Br)c1 ZINC000125525200 654796615 /nfs/dbraw/zinc/79/66/15/654796615.db2.gz DNRCFOVOUBRIQH-INIZCTEOSA-N 1 1 394.313 2.757 20 30 GFEDMO C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000127286301 654827008 /nfs/dbraw/zinc/82/70/08/654827008.db2.gz VJPWIRJFNDKFFX-OAHLLOKOSA-N 1 1 378.314 2.725 20 30 GFEDMO N#CCCN(C(=O)C[N@@H+]1CCS[C@H]2COCC[C@@H]21)c1cccc(Cl)c1 ZINC000135571324 655020789 /nfs/dbraw/zinc/02/07/89/655020789.db2.gz JJQCPWRLIGQKCC-IRXDYDNUSA-N 1 1 379.913 2.793 20 30 GFEDMO N#CCCN(C(=O)C[N@H+]1CCS[C@H]2COCC[C@@H]21)c1cccc(Cl)c1 ZINC000135571324 655020791 /nfs/dbraw/zinc/02/07/91/655020791.db2.gz JJQCPWRLIGQKCC-IRXDYDNUSA-N 1 1 379.913 2.793 20 30 GFEDMO C=C(C)C[NH+]1CCC(NC(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000108278731 655130673 /nfs/dbraw/zinc/13/06/73/655130673.db2.gz JUXGONZGVOSOBE-UHFFFAOYSA-N 1 1 378.466 2.515 20 30 GFEDMO C[NH+]=C(NCCc1ccc(Br)cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000176163897 655237955 /nfs/dbraw/zinc/23/79/55/655237955.db2.gz IGQDPOHBLJUASD-KRWDZBQOSA-N 1 1 377.330 2.513 20 30 GFEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)CC[NH+]1CCOCC1 ZINC000725712979 655525984 /nfs/dbraw/zinc/52/59/84/655525984.db2.gz BHHHPUZXUGKRFF-UHFFFAOYSA-N 1 1 385.277 2.825 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cccc(C)c1I ZINC000729811686 655568882 /nfs/dbraw/zinc/56/88/82/655568882.db2.gz AELAILXGKNVXJI-CYBMUJFWSA-N 1 1 383.229 2.854 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000756541577 655901617 /nfs/dbraw/zinc/90/16/17/655901617.db2.gz IRZVDPUMZSXWKK-KRWDZBQOSA-N 1 1 388.265 2.889 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000756541577 655901621 /nfs/dbraw/zinc/90/16/21/655901621.db2.gz IRZVDPUMZSXWKK-KRWDZBQOSA-N 1 1 388.265 2.889 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000756543757 655901789 /nfs/dbraw/zinc/90/17/89/655901789.db2.gz ROJLCGQSIIGZRI-QGZVFWFLSA-N 1 1 388.265 2.889 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000756551105 655901970 /nfs/dbraw/zinc/90/19/70/655901970.db2.gz GOURPNRNRFLXRP-MRXNPFEDSA-N 1 1 388.265 2.889 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000756551105 655901972 /nfs/dbraw/zinc/90/19/72/655901972.db2.gz GOURPNRNRFLXRP-MRXNPFEDSA-N 1 1 388.265 2.889 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000773911692 656477104 /nfs/dbraw/zinc/47/71/04/656477104.db2.gz KDZOZGSEVBRWAB-RRQGHBQHSA-N 1 1 379.298 2.739 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000773911692 656477109 /nfs/dbraw/zinc/47/71/09/656477109.db2.gz KDZOZGSEVBRWAB-RRQGHBQHSA-N 1 1 379.298 2.739 20 30 GFEDMO C#CCC[NH+]1CCN([C@@H](C(=O)OCC)c2ccc(Br)cc2F)CC1 ZINC000776593098 656764209 /nfs/dbraw/zinc/76/42/09/656764209.db2.gz QZZVAAUHQPNFJH-QGZVFWFLSA-N 1 1 397.288 2.833 20 30 GFEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000815082261 660110320 /nfs/dbraw/zinc/11/03/20/660110320.db2.gz HWRUADYLGHVENL-UHFFFAOYSA-N 1 1 395.322 2.836 20 30 GFEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN(c3[nH]cc[nH+]3)CC2)s1 ZINC000847947616 661617130 /nfs/dbraw/zinc/61/71/30/661617130.db2.gz XZIGHTTXEPIHQE-UHFFFAOYSA-N 1 1 397.957 2.911 20 30 GFEDMO C#CC[NH+]1CCC(c2nc(-c3cc(Br)c(=O)[nH]c3C)no2)CC1 ZINC000858823501 662124132 /nfs/dbraw/zinc/12/41/32/662124132.db2.gz WZZZRTUVGSSEGH-UHFFFAOYSA-N 1 1 377.242 2.721 20 30 GFEDMO C#CC[N@@H+](C[C@H](O)CC(=O)OCC)[C@H]1CCOc2ccc(Br)cc21 ZINC000859139386 662140428 /nfs/dbraw/zinc/14/04/28/662140428.db2.gz GANYDQCJUSUCKM-ZBFHGGJFSA-N 1 1 396.281 2.522 20 30 GFEDMO C#CC[N@H+](C[C@H](O)CC(=O)OCC)[C@H]1CCOc2ccc(Br)cc21 ZINC000859139386 662140430 /nfs/dbraw/zinc/14/04/30/662140430.db2.gz GANYDQCJUSUCKM-ZBFHGGJFSA-N 1 1 396.281 2.522 20 30 GFEDMO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871056982 662714398 /nfs/dbraw/zinc/71/43/98/662714398.db2.gz PLQPWYMDPGHUFP-WFASDCNBSA-N 1 1 391.317 2.752 20 30 GFEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885284702 663088358 /nfs/dbraw/zinc/08/83/58/663088358.db2.gz XQOFAEIYZBIIMC-XHNCKOQMSA-N 1 1 380.279 2.710 20 30 GFEDMO N#Cc1csc(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000892511627 663376349 /nfs/dbraw/zinc/37/63/49/663376349.db2.gz HDYKOOULRWCION-ZDUSSCGKSA-N 1 1 375.523 2.788 20 30 GFEDMO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2csc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000914244019 664389633 /nfs/dbraw/zinc/38/96/33/664389633.db2.gz YRUOIOZYCALIRE-RHSMWYFYSA-N 1 1 375.519 2.702 20 30 GFEDMO N#Cc1ccc(Br)c(C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000921728613 664564700 /nfs/dbraw/zinc/56/47/00/664564700.db2.gz BTDHKHXPNNAJQV-LBPRGKRZSA-N 1 1 376.176 2.574 20 30 GFEDMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932942728 664843846 /nfs/dbraw/zinc/84/38/46/664843846.db2.gz IMLCHNQDTLITLI-YIZRAAEISA-N 1 1 380.279 2.710 20 30 GFEDMO COc1cc(C#N)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164839592 720550775 /nfs/dbraw/zinc/55/07/75/720550775.db2.gz QROGTMCQWIXQMQ-ILZDJORESA-N 1 1 380.496 2.536 20 30 GFEDMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1C#N ZINC001164866305 721050693 /nfs/dbraw/zinc/05/06/93/721050693.db2.gz DVHZAZQKHGBFFF-DLBZAZTESA-N 1 1 383.883 2.790 20 30 GFEDMO N#Cc1cc2c(nc1N1CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C1)CCC2 ZINC001164909215 721553808 /nfs/dbraw/zinc/55/38/08/721553808.db2.gz SZXWWLIBRSCZLU-AZUAARDMSA-N 1 1 378.451 2.923 20 30 GFEDMO Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ccc1CC#N ZINC001164811278 721581831 /nfs/dbraw/zinc/58/18/31/721581831.db2.gz XCWLLNOLZHVGBL-ONTIZHBOSA-N 1 1 377.492 2.719 20 30 GFEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C#N)C[C@@H]21 ZINC001165018943 721809331 /nfs/dbraw/zinc/80/93/31/721809331.db2.gz BBKYWKNIEOFERP-UIAACRFSSA-N 1 1 392.463 2.993 20 30 GFEDMO N#C[C@@H](c1ccc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)nn1)c1ccccc1F ZINC001164967451 722073906 /nfs/dbraw/zinc/07/39/06/722073906.db2.gz QMEHQRGSZJMLQC-ZIFCJYIRSA-N 1 1 393.466 2.571 20 30 GFEDMO N#Cc1ccnc(N2CC[NH+](CCOc3ccc(Br)cc3)CC2)c1 ZINC000029444656 551126796 /nfs/dbraw/zinc/12/67/96/551126796.db2.gz WBGTWRBPLQBDIB-UHFFFAOYSA-N 1 1 387.281 2.917 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1OC ZINC000155031337 551489356 /nfs/dbraw/zinc/48/93/56/551489356.db2.gz DQGJLYZNDXTKEL-CYBMUJFWSA-N 1 1 383.286 2.720 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1OC ZINC000155031337 551489357 /nfs/dbraw/zinc/48/93/57/551489357.db2.gz DQGJLYZNDXTKEL-CYBMUJFWSA-N 1 1 383.286 2.720 20 30 GFEDMO COCCCNC(=O)C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000181003494 552242527 /nfs/dbraw/zinc/24/25/27/552242527.db2.gz CKQIYDTWWPDKAE-UHFFFAOYSA-N 1 1 394.313 2.685 20 30 GFEDMO COC(=O)CCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181437740 552256310 /nfs/dbraw/zinc/25/63/10/552256310.db2.gz REJYBPXSUQUJMC-MRXNPFEDSA-N 1 1 380.286 2.585 20 30 GFEDMO C[S@](=O)C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000183114315 552300921 /nfs/dbraw/zinc/30/09/21/552300921.db2.gz NVPVFSRTHRQZCE-GKVSMKOHSA-N 1 1 375.881 2.860 20 30 GFEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H](O)C(F)(F)F ZINC000189479102 552472636 /nfs/dbraw/zinc/47/26/36/552472636.db2.gz ZTWKBIYOJVIREJ-CYBMUJFWSA-N 1 1 375.416 2.682 20 30 GFEDMO COC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000193677761 552999973 /nfs/dbraw/zinc/99/99/73/552999973.db2.gz HKBMAUFGKMULCG-SFHVURJKSA-N 1 1 378.881 2.963 20 30 GFEDMO N#CCCN(C(=O)C[N@@H+]1CCS[C@H]2COCC[C@H]21)c1cccc(Cl)c1 ZINC000246809700 553113628 /nfs/dbraw/zinc/11/36/28/553113628.db2.gz JJQCPWRLIGQKCC-SJORKVTESA-N 1 1 379.913 2.793 20 30 GFEDMO N#CCCN(C(=O)C[N@H+]1CCS[C@H]2COCC[C@H]21)c1cccc(Cl)c1 ZINC000246809700 553113629 /nfs/dbraw/zinc/11/36/29/553113629.db2.gz JJQCPWRLIGQKCC-SJORKVTESA-N 1 1 379.913 2.793 20 30 GFEDMO N#Cc1ncn(C2CC[NH+](CCOc3ccccc3Br)CC2)n1 ZINC000369383444 563213417 /nfs/dbraw/zinc/21/34/17/563213417.db2.gz KTGVNBPOVPVNRS-UHFFFAOYSA-N 1 1 376.258 2.628 20 30 GFEDMO N#Cc1ccc(Br)c(CN2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000375426650 563404844 /nfs/dbraw/zinc/40/48/44/563404844.db2.gz JNXKLNQIOWFTDM-DLBZAZTESA-N 1 1 378.314 2.742 20 30 GFEDMO C[N@H+]1CC[C@H](CNS(=O)(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000377389579 563473296 /nfs/dbraw/zinc/47/32/96/563473296.db2.gz NCTXWMBTYCOBIW-AEFFLSMTSA-N 1 1 375.519 2.732 20 30 GFEDMO CC(=O)Nc1ncc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)s1 ZINC000329276861 563477423 /nfs/dbraw/zinc/47/74/23/563477423.db2.gz LJGAPDYDQLRNLF-CQSZACIVSA-N 1 1 386.543 2.826 20 30 GFEDMO Cc1cc(C)c(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1Br ZINC000330567948 563510959 /nfs/dbraw/zinc/51/09/59/563510959.db2.gz MZOXWDPOBXMPEE-KBPBESRZSA-N 1 1 384.318 2.998 20 30 GFEDMO N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000331887070 563565621 /nfs/dbraw/zinc/56/56/21/563565621.db2.gz DUULKHXTAXKQBU-LBPRGKRZSA-N 1 1 398.326 2.616 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1Br ZINC000333213776 563624910 /nfs/dbraw/zinc/62/49/10/563624910.db2.gz DFZACKNEEDIQAM-CQSZACIVSA-N 1 1 398.326 2.616 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1Br ZINC000333213776 563624911 /nfs/dbraw/zinc/62/49/11/563624911.db2.gz DFZACKNEEDIQAM-CQSZACIVSA-N 1 1 398.326 2.616 20 30 GFEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000443090471 563791254 /nfs/dbraw/zinc/79/12/54/563791254.db2.gz FYZRIIMSJYMUDQ-UHFFFAOYSA-N 1 1 399.969 2.852 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000367185856 563834295 /nfs/dbraw/zinc/83/42/95/563834295.db2.gz KGCCGIWBWQKQEP-ZDUSSCGKSA-N 1 1 381.548 2.872 20 30 GFEDMO C[C@H]1CCC[N@@H+](CCNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449636206 564193293 /nfs/dbraw/zinc/19/32/93/564193293.db2.gz ZMOSUZLLUZUBTQ-ZDUSSCGKSA-N 1 1 380.286 2.548 20 30 GFEDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)COc1cccc(Br)c1C#N ZINC000449796422 564201949 /nfs/dbraw/zinc/20/19/49/564201949.db2.gz UDHHSOYAHUIPER-LBPRGKRZSA-N 1 1 391.269 2.657 20 30 GFEDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)COc1cccc(Br)c1C#N ZINC000449881399 564207590 /nfs/dbraw/zinc/20/75/90/564207590.db2.gz DHYCVPLIZWEMKP-KBPBESRZSA-N 1 1 392.297 2.785 20 30 GFEDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccc(Br)cc1C#N ZINC000450313503 564226528 /nfs/dbraw/zinc/22/65/28/564226528.db2.gz ACGYMZLNJPMWKI-UHFFFAOYSA-N 1 1 394.313 2.751 20 30 GFEDMO N#Cc1cccc(N2CC[NH+](CCOc3cccc(Br)c3)CC2)n1 ZINC000545506304 564426462 /nfs/dbraw/zinc/42/64/62/564426462.db2.gz WPIOUXJXJYMAMU-UHFFFAOYSA-N 1 1 387.281 2.917 20 30 GFEDMO C[N@H+]1CC[C@H](Cn2nnnc2Sc2cc(Br)c(C#N)cc2F)C1 ZINC000569258891 564456020 /nfs/dbraw/zinc/45/60/20/564456020.db2.gz MMGRZMXOVDDUJH-VIFPVBQESA-N 1 1 397.277 2.549 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC)CCOc1ccc(Br)cc1 ZINC000489322706 564735805 /nfs/dbraw/zinc/73/58/05/564735805.db2.gz FBUCCQDQKJIYFI-CYBMUJFWSA-N 1 1 398.301 2.550 20 30 GFEDMO Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@](O)(CC#N)C3)C2=O)ccc1Br ZINC000592150666 565260842 /nfs/dbraw/zinc/26/08/42/565260842.db2.gz GCRNQGORPXCWHY-FUHWJXTLSA-N 1 1 392.297 2.603 20 30 GFEDMO Cc1cc(N2CCC[C@H]([N@H+]3CC[C@](O)(CC#N)C3)C2=O)ccc1Br ZINC000592150666 565260846 /nfs/dbraw/zinc/26/08/46/565260846.db2.gz GCRNQGORPXCWHY-FUHWJXTLSA-N 1 1 392.297 2.603 20 30 GFEDMO Cc1ccccc1C[N@@H+]1CCCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593529973 565337526 /nfs/dbraw/zinc/33/75/26/565337526.db2.gz DOEFNHDYLNZGES-UHFFFAOYSA-N 1 1 375.519 2.825 20 30 GFEDMO Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593529973 565337529 /nfs/dbraw/zinc/33/75/29/565337529.db2.gz DOEFNHDYLNZGES-UHFFFAOYSA-N 1 1 375.519 2.825 20 30 GFEDMO C=CC[N@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(C)(C)C ZINC000661756388 565337789 /nfs/dbraw/zinc/33/77/89/565337789.db2.gz MYASQCYMKFBNLR-UHFFFAOYSA-N 1 1 387.933 2.815 20 30 GFEDMO Cc1ccc2c(ncc(C#N)c2N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1Br ZINC000619485438 565343520 /nfs/dbraw/zinc/34/35/20/565343520.db2.gz UOAADYTUWUSCTJ-GJZGRUSLSA-N 1 1 387.281 2.697 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1cccc(CC#N)c1)c1ccc(Cl)cc1 ZINC000619798228 565359767 /nfs/dbraw/zinc/35/97/67/565359767.db2.gz BPAYNXVHDCESAC-SFHVURJKSA-N 1 1 377.897 2.987 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000594747122 565414451 /nfs/dbraw/zinc/41/44/51/565414451.db2.gz CPJFBGCIKWSJQZ-AWEZNQCLSA-N 1 1 375.519 2.844 20 30 GFEDMO C=CCn1cc(C[NH2+][C@@H]2CCc3ccc(I)cc32)nn1 ZINC000595046217 565445586 /nfs/dbraw/zinc/44/55/86/565445586.db2.gz YUCWWRSEKVTKFM-OAHLLOKOSA-N 1 1 380.233 2.846 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(F)c(Br)cc2C)CC1 ZINC000624958855 565585852 /nfs/dbraw/zinc/58/58/52/565585852.db2.gz XSHLKPIVKZRGDW-UHFFFAOYSA-N 1 1 391.306 2.825 20 30 GFEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1cccc(F)c1 ZINC000823878134 609371360 /nfs/dbraw/zinc/37/13/60/609371360.db2.gz QFRCRWJOZBXQCH-UHFFFAOYSA-N 1 1 397.458 2.860 20 30 GFEDMO C=C(C)C[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1cccc(F)c1 ZINC000823878134 609371362 /nfs/dbraw/zinc/37/13/62/609371362.db2.gz QFRCRWJOZBXQCH-UHFFFAOYSA-N 1 1 397.458 2.860 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(Br)ccc(OCC)c2F)C1 ZINC000829582375 660601509 /nfs/dbraw/zinc/60/15/09/660601509.db2.gz LFUOIFWBFPRCLX-GFCCVEGCSA-N 1 1 383.261 2.814 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(Br)ccc(OCC)c2F)C1 ZINC000829582375 660601513 /nfs/dbraw/zinc/60/15/13/660601513.db2.gz LFUOIFWBFPRCLX-GFCCVEGCSA-N 1 1 383.261 2.814 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000836491120 660910429 /nfs/dbraw/zinc/91/04/29/660910429.db2.gz IAAWCSNREDQVOS-INIZCTEOSA-N 1 1 378.314 2.903 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000836490088 660910447 /nfs/dbraw/zinc/91/04/47/660910447.db2.gz GOVMETPOZQQHAP-AWEZNQCLSA-N 1 1 382.327 2.850 20 30 GFEDMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccsc1 ZINC000041649009 654628644 /nfs/dbraw/zinc/62/86/44/654628644.db2.gz NZTKIROKSZOYQB-HNNXBMFYSA-N 1 1 376.869 2.631 20 30 GFEDMO N#CCCCC[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000069860314 654987514 /nfs/dbraw/zinc/98/75/14/654987514.db2.gz QBBZNIIXMLOZOC-UHFFFAOYSA-N 1 1 380.286 2.666 20 30 GFEDMO C#CCOCCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000157549957 655101219 /nfs/dbraw/zinc/10/12/19/655101219.db2.gz UKZXCSIMFNJUCL-UHFFFAOYSA-N 1 1 379.298 2.570 20 30 GFEDMO N#Cc1ccc([C@H](O)C[NH+]2CCN(c3ccc(Br)cn3)CC2)cc1 ZINC000177994234 655294376 /nfs/dbraw/zinc/29/43/76/655294376.db2.gz FOMNYZWIGOEIBG-QGZVFWFLSA-N 1 1 387.281 2.571 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000729808988 655568678 /nfs/dbraw/zinc/56/86/78/655568678.db2.gz IBUJRTHTGWFBFG-GXTWGEPZSA-N 1 1 384.245 2.996 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(C)c(I)c1 ZINC000729812013 655568915 /nfs/dbraw/zinc/56/89/15/655568915.db2.gz JJSHJJNTCJDTRF-AWEZNQCLSA-N 1 1 383.229 2.854 20 30 GFEDMO CCN1CC[NH+](CC(C)(C)NC(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000840827135 661192958 /nfs/dbraw/zinc/19/29/58/661192958.db2.gz FEEKLIGNMVTQAB-UHFFFAOYSA-N 1 1 379.961 2.914 20 30 GFEDMO Cc1cc(Br)ccc1[N-][NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000755698988 655887303 /nfs/dbraw/zinc/88/73/03/655887303.db2.gz NVGWZLHQFCZLFU-UHFFFAOYSA-N 1 1 389.301 2.745 20 30 GFEDMO CCC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cccc(Cl)c1F ZINC000763406574 656082554 /nfs/dbraw/zinc/08/25/54/656082554.db2.gz FDBNDYRHQYWZAL-UHFFFAOYSA-N 1 1 386.924 2.780 20 30 GFEDMO C#CC[N@H+](C[C@@H](O)CCOCC)[C@H]1CCOc2ccc(Br)cc21 ZINC000769727518 656288251 /nfs/dbraw/zinc/28/82/51/656288251.db2.gz WWVNQTBXKJUPEK-RDJZCZTQSA-N 1 1 382.298 2.995 20 30 GFEDMO C#CCn1ccc(C[N@H+](CC)C[C@@H](O)COc2ccc(Br)cc2)n1 ZINC000789331937 657838390 /nfs/dbraw/zinc/83/83/90/657838390.db2.gz KZAHLTTVCISLTL-QGZVFWFLSA-N 1 1 392.297 2.541 20 30 GFEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H](O)COc2ccc(Br)cc2)n1 ZINC000789331937 657838396 /nfs/dbraw/zinc/83/83/96/657838396.db2.gz KZAHLTTVCISLTL-QGZVFWFLSA-N 1 1 392.297 2.541 20 30 GFEDMO COc1cc(Br)cc(C(C)=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c1O ZINC000848406317 661646234 /nfs/dbraw/zinc/64/62/34/661646234.db2.gz BOKQYHFQBMFWBN-STQMWFEESA-N 1 1 381.274 2.747 20 30 GFEDMO CC(C)[NH+]1CCN(C2CCN(c3cc(Br)cnc3C#N)CC2)CC1 ZINC000853462023 661889489 /nfs/dbraw/zinc/88/94/89/661889489.db2.gz HKWYHWLVKAITHA-UHFFFAOYSA-N 1 1 392.345 2.711 20 30 GFEDMO C#CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](c2ccc(Br)cc2)C1)C(=O)OC ZINC000877584247 662879446 /nfs/dbraw/zinc/87/94/46/662879446.db2.gz YDBRSVDEYSPCDN-IXDOHACOSA-N 1 1 379.298 2.739 20 30 GFEDMO C#CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](c2ccc(Br)cc2)C1)C(=O)OC ZINC000877584247 662879448 /nfs/dbraw/zinc/87/94/48/662879448.db2.gz YDBRSVDEYSPCDN-IXDOHACOSA-N 1 1 379.298 2.739 20 30 GFEDMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2nc(C#N)cs2)[C@H]1c1cccs1 ZINC000893198945 663401116 /nfs/dbraw/zinc/40/11/16/663401116.db2.gz JESFTWGTGVILPH-LRDDRELGSA-N 1 1 375.523 2.959 20 30 GFEDMO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(C#N)ccc1Br)C2 ZINC000922385624 664597922 /nfs/dbraw/zinc/59/79/22/664597922.db2.gz JXKIBQJCHRPKKT-AKHDSKFASA-N 1 1 392.341 2.890 20 30 GFEDMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(C#N)ccc1Br)C2 ZINC000922385624 664597926 /nfs/dbraw/zinc/59/79/26/664597926.db2.gz JXKIBQJCHRPKKT-AKHDSKFASA-N 1 1 392.341 2.890 20 30 GFEDMO C#CCOc1ccc(Br)cc1CNC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000922950655 664619862 /nfs/dbraw/zinc/61/98/62/664619862.db2.gz BOKXMLGRQCGJTM-SFHVURJKSA-N 1 1 393.325 2.804 20 30 GFEDMO C#CCOc1ccc(Br)cc1CNC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000922950655 664619864 /nfs/dbraw/zinc/61/98/64/664619864.db2.gz BOKXMLGRQCGJTM-SFHVURJKSA-N 1 1 393.325 2.804 20 30 GFEDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(C#N)cc1I ZINC000932550503 664826325 /nfs/dbraw/zinc/82/63/25/664826325.db2.gz DIXPZQZRZNODNE-GHMZBOCLSA-N 1 1 398.248 2.719 20 30 GFEDMO N#CC1(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CCSCC1 ZINC000935643481 664975790 /nfs/dbraw/zinc/97/57/90/664975790.db2.gz OQOQHBNUAMDBKV-QGZVFWFLSA-N 1 1 375.563 2.757 20 30 GFEDMO N#CC1(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CCSCC1 ZINC000935643481 664975792 /nfs/dbraw/zinc/97/57/92/664975792.db2.gz OQOQHBNUAMDBKV-QGZVFWFLSA-N 1 1 375.563 2.757 20 30 GFEDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc3c(cc1C#N)CCCC3(C)C)CC2 ZINC001164690037 719755020 /nfs/dbraw/zinc/75/50/20/719755020.db2.gz QJGRNTGAECDZLY-UHFFFAOYSA-N 1 1 395.551 2.748 20 30 GFEDMO Cc1cc(C#N)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1C ZINC001164743267 720823189 /nfs/dbraw/zinc/82/31/89/720823189.db2.gz RTAQSZOGAIIDGF-PCCBWWKXSA-N 1 1 391.523 2.541 20 30 GFEDMO N#Cc1ccc2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164866941 721076873 /nfs/dbraw/zinc/07/68/73/721076873.db2.gz VHENEJQZAIUAFO-SFTDATJTSA-N 1 1 385.471 2.981 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(C#N)c[nH]c3n2)[C@H]2CCCO[C@H]12 ZINC001164801113 721561125 /nfs/dbraw/zinc/56/11/25/721561125.db2.gz GIZQOIYREXGGPM-ZVDOUQERSA-N 1 1 388.475 2.698 20 30 GFEDMO N#Cc1cc2c(nc1N1CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C1)CCOC2 ZINC001164907265 721561149 /nfs/dbraw/zinc/56/11/49/721561149.db2.gz NRWQMXAUFIEASM-AZUAARDMSA-N 1 1 394.450 2.507 20 30 GFEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(C#N)ccc3[N+](=O)[O-])C[C@@H]21 ZINC001165027307 721811456 /nfs/dbraw/zinc/81/14/56/721811456.db2.gz UGXHYHVKZZKPOQ-ZYSHUDEJSA-N 1 1 392.463 2.993 20 30 GFEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165053235 722011113 /nfs/dbraw/zinc/01/11/13/722011113.db2.gz CDADHNCLLIUNGL-UHFFFAOYSA-N 1 1 399.882 2.543 20 30 GFEDMO Cc1ccc(CC#N)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972675 722144949 /nfs/dbraw/zinc/14/49/49/722144949.db2.gz AGSXMRINPKJGFW-SFTDATJTSA-N 1 1 377.492 2.578 20 30 GFEDMO C[N@H+](CC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H]1CCSC1 ZINC000541139736 532749063 /nfs/dbraw/zinc/74/90/63/532749063.db2.gz FIUDYBZAMRUMBC-CQSZACIVSA-N 1 1 375.885 2.773 20 30 GFEDMO C[N@@H+](CC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H]1CCSC1 ZINC000541139736 532749065 /nfs/dbraw/zinc/74/90/65/532749065.db2.gz FIUDYBZAMRUMBC-CQSZACIVSA-N 1 1 375.885 2.773 20 30 GFEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000121097498 551227465 /nfs/dbraw/zinc/22/74/65/551227465.db2.gz GGKPOZCPRMLTKQ-CYBMUJFWSA-N 1 1 387.933 2.815 20 30 GFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000121497286 551235740 /nfs/dbraw/zinc/23/57/40/551235740.db2.gz CIKHJNAQLWODAA-UHFFFAOYSA-N 1 1 378.267 2.883 20 30 GFEDMO C#CCC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000127300070 551339905 /nfs/dbraw/zinc/33/99/05/551339905.db2.gz GZWMCOYMZKUSQM-UHFFFAOYSA-N 1 1 384.705 2.682 20 30 GFEDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000173245107 552080517 /nfs/dbraw/zinc/08/05/17/552080517.db2.gz BGONOIQETCNLNF-RISCZKNCSA-N 1 1 375.416 2.538 20 30 GFEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(C#N)cc1Br ZINC000181202635 552249624 /nfs/dbraw/zinc/24/96/24/552249624.db2.gz XLVKTPZXUPYQKT-UHFFFAOYSA-N 1 1 379.346 2.779 20 30 GFEDMO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(C#N)cc1Br ZINC000181202635 552249630 /nfs/dbraw/zinc/24/96/30/552249630.db2.gz XLVKTPZXUPYQKT-UHFFFAOYSA-N 1 1 379.346 2.779 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)CCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000184332135 552332957 /nfs/dbraw/zinc/33/29/57/552332957.db2.gz VNRRZDKTEZENML-OAHLLOKOSA-N 1 1 377.432 2.921 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)c(Cl)c1 ZINC000370586021 563249323 /nfs/dbraw/zinc/24/93/23/563249323.db2.gz ZQWZKLRYTQMYFZ-INIZCTEOSA-N 1 1 379.844 2.686 20 30 GFEDMO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1N1CCCS1(=O)=O ZINC000328850245 563466933 /nfs/dbraw/zinc/46/69/33/563466933.db2.gz ZDNIMLOTVGAADC-OAHLLOKOSA-N 1 1 383.539 2.560 20 30 GFEDMO Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1N1CCCS1(=O)=O ZINC000328850245 563466937 /nfs/dbraw/zinc/46/69/37/563466937.db2.gz ZDNIMLOTVGAADC-OAHLLOKOSA-N 1 1 383.539 2.560 20 30 GFEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000328960903 563468723 /nfs/dbraw/zinc/46/87/23/563468723.db2.gz KNWONRBKFQBPMV-CABCVRRESA-N 1 1 385.555 2.590 20 30 GFEDMO C[C@@H]1C[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC[N@H+]1C ZINC000329592041 563483144 /nfs/dbraw/zinc/48/31/44/563483144.db2.gz BURVEUFFJOIYEZ-ZIAGYGMSSA-N 1 1 385.555 2.710 20 30 GFEDMO C[N@@H+](CC(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[C@H]1CCSC1 ZINC000330317309 563501353 /nfs/dbraw/zinc/50/13/53/563501353.db2.gz BNACVSHGXAVPLL-RYUDHWBXSA-N 1 1 376.448 2.858 20 30 GFEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000330399499 563504060 /nfs/dbraw/zinc/50/40/60/563504060.db2.gz TYPIZRFCZHKPNH-GFCCVEGCSA-N 1 1 375.416 2.539 20 30 GFEDMO N#Cc1ccc(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c(Br)c1 ZINC000411965258 563642620 /nfs/dbraw/zinc/64/26/20/563642620.db2.gz JYWJOERKUJEQRN-LJQANCHMSA-N 1 1 384.277 2.950 20 30 GFEDMO C=CCn1c(SC[C@@H](O)C[N@H+](C)C2CC2)nc2sc(C)c(C)c2c1=O ZINC000290531787 563712672 /nfs/dbraw/zinc/71/26/72/563712672.db2.gz DHOBXIRCZKUYNY-AWEZNQCLSA-N 1 1 379.551 2.808 20 30 GFEDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3ccc(C#N)cc3Br)CC2)C1 ZINC000368401965 563870078 /nfs/dbraw/zinc/87/00/78/563870078.db2.gz HWXGCGFRKDSKPK-QGZVFWFLSA-N 1 1 377.330 2.533 20 30 GFEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1cc(Br)c(C#N)cc1F ZINC000565221630 564270937 /nfs/dbraw/zinc/27/09/37/564270937.db2.gz MAAZMQMXAZSUGB-INIZCTEOSA-N 1 1 397.292 2.814 20 30 GFEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000566115550 564310927 /nfs/dbraw/zinc/31/09/27/564310927.db2.gz QXNHXMGOQSFEAX-AWEZNQCLSA-N 1 1 377.286 2.819 20 30 GFEDMO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459462702 564746014 /nfs/dbraw/zinc/74/60/14/564746014.db2.gz LNNOLCIIHFVTTF-CZUORRHYSA-N 1 1 380.286 2.568 20 30 GFEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C1=O ZINC000467509355 564965621 /nfs/dbraw/zinc/96/56/21/564965621.db2.gz AAXZOOBBUFRRMF-OAHLLOKOSA-N 1 1 395.297 2.829 20 30 GFEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C1=O ZINC000467509355 564965622 /nfs/dbraw/zinc/96/56/22/564965622.db2.gz AAXZOOBBUFRRMF-OAHLLOKOSA-N 1 1 395.297 2.829 20 30 GFEDMO C[N@H+]1CCC[C@@H]1CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000593018781 565307310 /nfs/dbraw/zinc/30/73/10/565307310.db2.gz BDTRTEHQXJYKLY-MSOLQXFVSA-N 1 1 377.330 2.726 20 30 GFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccsc1C#N ZINC000593562028 565341677 /nfs/dbraw/zinc/34/16/77/565341677.db2.gz QZPDXCQNJCYBKC-HOCLYGCPSA-N 1 1 375.519 2.809 20 30 GFEDMO C[N@H+]1CCC[C@H](N2CCN(c3cc(Br)c(C#N)cc3F)CC2)C1 ZINC000594556840 565399295 /nfs/dbraw/zinc/39/92/95/565399295.db2.gz TVUSHBLLRRLUPX-AWEZNQCLSA-N 1 1 381.293 2.676 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000597924845 565582330 /nfs/dbraw/zinc/58/23/30/565582330.db2.gz SPJIFULQZVAHCK-ZDUSSCGKSA-N 1 1 380.286 2.689 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000597925902 565582545 /nfs/dbraw/zinc/58/25/45/565582545.db2.gz XYOSRHIZYFSMFZ-GFCCVEGCSA-N 1 1 380.286 2.689 20 30 GFEDMO C=CCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000669805420 565703389 /nfs/dbraw/zinc/70/33/89/565703389.db2.gz OYZAFLKQYBSATR-ZDUSSCGKSA-N 1 1 393.333 2.763 20 30 GFEDMO N#Cc1cc(Br)ccc1C(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000600009086 565710609 /nfs/dbraw/zinc/71/06/09/565710609.db2.gz WWKXGTRDNNQGEI-UHFFFAOYSA-N 1 1 392.297 2.648 20 30 GFEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2cc(C#N)c(Br)cn2)C[C@H](C)O1 ZINC000603346289 565898702 /nfs/dbraw/zinc/89/87/02/565898702.db2.gz ACZLCQWGCVALAZ-GUTXKFCHSA-N 1 1 379.302 2.794 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+](CC)CC(=O)N(C)C)cc1OC ZINC000678139587 566000825 /nfs/dbraw/zinc/00/08/25/566000825.db2.gz XKWJYCLJIVBUQC-UHFFFAOYSA-N 1 1 385.302 2.933 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](CC)CC(=O)N(C)C)cc1OC ZINC000678139587 566000828 /nfs/dbraw/zinc/00/08/28/566000828.db2.gz XKWJYCLJIVBUQC-UHFFFAOYSA-N 1 1 385.302 2.933 20 30 GFEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1cccc(S(N)(=O)=O)c1 ZINC000611932116 566145867 /nfs/dbraw/zinc/14/58/67/566145867.db2.gz OZDTYMKBNNXPCR-NSHDSACASA-N 1 1 394.294 2.819 20 30 GFEDMO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)ccc1OC ZINC000820841789 607480151 /nfs/dbraw/zinc/48/01/51/607480151.db2.gz DOPBBVWOKQFEAI-MRXNPFEDSA-N 1 1 396.426 2.985 20 30 GFEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[NH+](CCOC)CC2)s1 ZINC000819278534 660253328 /nfs/dbraw/zinc/25/33/28/660253328.db2.gz PQNKMAVFTMRBRO-UHFFFAOYSA-N 1 1 389.974 2.629 20 30 GFEDMO CC(C)C(N)=[NH+]O[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000128545898 654848277 /nfs/dbraw/zinc/84/82/77/654848277.db2.gz XPWUUMDOWZUJEU-VIFPVBQESA-N 1 1 375.210 2.563 20 30 GFEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@](=O)C1 ZINC000277282314 655311064 /nfs/dbraw/zinc/31/10/64/655311064.db2.gz BFDZPHPVSKEMDR-SHZVTRLKSA-N 1 1 379.551 2.528 20 30 GFEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@](=O)C1 ZINC000277282314 655311066 /nfs/dbraw/zinc/31/10/66/655311066.db2.gz BFDZPHPVSKEMDR-SHZVTRLKSA-N 1 1 379.551 2.528 20 30 GFEDMO C[NH+]=C(NCc1ccc(Br)cc1C)N1CC[C@H](N2CC=CC2)C1 ZINC000261862864 655442788 /nfs/dbraw/zinc/44/27/88/655442788.db2.gz YQKGQGUZCZFWKR-KRWDZBQOSA-N 1 1 377.330 2.779 20 30 GFEDMO S=C(NCCC[NH+]1CCOCC1)NN=C1CC(c2cccc(Cl)c2)C1 ZINC000753919135 655860943 /nfs/dbraw/zinc/86/09/43/655860943.db2.gz SGJXQQPUONBBOX-UHFFFAOYSA-N 1 1 380.945 2.760 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc(I)ccc1F ZINC000756544588 655901727 /nfs/dbraw/zinc/90/17/27/655901727.db2.gz PPWYJLVEUNEGMG-LBPRGKRZSA-N 1 1 387.192 2.685 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc(I)ccc1F ZINC000756544588 655901729 /nfs/dbraw/zinc/90/17/29/655901729.db2.gz PPWYJLVEUNEGMG-LBPRGKRZSA-N 1 1 387.192 2.685 20 30 GFEDMO C=C(Br)CNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000758504910 655934260 /nfs/dbraw/zinc/93/42/60/655934260.db2.gz IDBOSGMRXIRNLO-OAHLLOKOSA-N 1 1 384.343 2.812 20 30 GFEDMO C=C(Br)CNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000758504910 655934262 /nfs/dbraw/zinc/93/42/62/655934262.db2.gz IDBOSGMRXIRNLO-OAHLLOKOSA-N 1 1 384.343 2.812 20 30 GFEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1COCCC1=[NH+]n1cc(Br)cn1 ZINC000766024155 656157886 /nfs/dbraw/zinc/15/78/86/656157886.db2.gz ANTMLTLREBTYGA-ZYHUDNBSSA-N 1 1 387.278 2.799 20 30 GFEDMO C#CC[N@@H+](CCOCC(=O)OCC)[C@H]1CCOc2ccc(Br)cc21 ZINC000809945806 659952838 /nfs/dbraw/zinc/95/28/38/659952838.db2.gz CLAREYGWDGSZPO-INIZCTEOSA-N 1 1 396.281 2.788 20 30 GFEDMO C#CC[N@H+](CCOCC(=O)OCC)[C@H]1CCOc2ccc(Br)cc21 ZINC000809945806 659952842 /nfs/dbraw/zinc/95/28/42/659952842.db2.gz CLAREYGWDGSZPO-INIZCTEOSA-N 1 1 396.281 2.788 20 30 GFEDMO C#CC1CC[NH+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)CC1 ZINC000842632845 661346788 /nfs/dbraw/zinc/34/67/88/661346788.db2.gz LNPMSBNVAXIYOZ-GOSISDBHSA-N 1 1 390.281 2.519 20 30 GFEDMO C=CCS(=O)(=O)CC[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000842696060 661349740 /nfs/dbraw/zinc/34/97/40/661349740.db2.gz KRVBPDXWOUJPNS-UHFFFAOYSA-N 1 1 384.242 2.741 20 30 GFEDMO C#CC[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000843267650 661374876 /nfs/dbraw/zinc/37/48/76/661374876.db2.gz BWVWLCXRWJSKTC-XJKSGUPXSA-N 1 1 375.266 2.816 20 30 GFEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Br)ccc1C#N ZINC000885456688 663091022 /nfs/dbraw/zinc/09/10/22/663091022.db2.gz DTYHDLSGQIBVSA-CABCVRRESA-N 1 1 398.326 2.568 20 30 GFEDMO COc1ccc(Br)c([C@@H](CO)[N@H+](C)C[C@H](O)CC2(C#N)CCC2)c1 ZINC000886228898 663105324 /nfs/dbraw/zinc/10/53/24/663105324.db2.gz HPINOFZTLPLFTH-CXAGYDPISA-N 1 1 397.313 2.868 20 30 GFEDMO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)c1 ZINC000886228898 663105326 /nfs/dbraw/zinc/10/53/26/663105326.db2.gz HPINOFZTLPLFTH-CXAGYDPISA-N 1 1 397.313 2.868 20 30 GFEDMO C#CC[N@@H+](Cn1ccc(=O)c2cccc(Br)c21)C1CCN(C)CC1 ZINC000902538914 663762715 /nfs/dbraw/zinc/76/27/15/663762715.db2.gz LHGXUSRRGPJWEK-UHFFFAOYSA-N 1 1 388.309 2.751 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000909883541 664181939 /nfs/dbraw/zinc/18/19/39/664181939.db2.gz BJSLIAQNZJLPLS-KRWDZBQOSA-N 1 1 383.286 2.799 20 30 GFEDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C#N)cc2I)C1 ZINC000932556793 664828430 /nfs/dbraw/zinc/82/84/30/664828430.db2.gz VWDIGBLOHILJAL-LBPRGKRZSA-N 1 1 398.248 2.626 20 30 GFEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Br)cc2)C[C@H]1C ZINC001080473911 677676334 /nfs/dbraw/zinc/67/63/34/677676334.db2.gz CJBHCHONWGNFPW-PILAGYSTSA-N 1 1 393.325 2.977 20 30 GFEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(Br)cc2)C[C@H]1C ZINC001080473911 677676335 /nfs/dbraw/zinc/67/63/35/677676335.db2.gz CJBHCHONWGNFPW-PILAGYSTSA-N 1 1 393.325 2.977 20 30 GFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)nc(C#N)n1)CC2 ZINC001164718017 720123205 /nfs/dbraw/zinc/12/32/05/720123205.db2.gz QCYLYQMGRCTKTL-LJQANCHMSA-N 1 1 392.507 2.559 20 30 GFEDMO COc1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C#N ZINC001164842566 720531181 /nfs/dbraw/zinc/53/11/81/720531181.db2.gz YJORWPKITZWMKK-YQVWRLOYSA-N 1 1 380.496 2.536 20 30 GFEDMO N#Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164751197 720808322 /nfs/dbraw/zinc/80/83/22/720808322.db2.gz XJLCOLQMELDZJO-RCCFBDPRSA-N 1 1 397.914 2.578 20 30 GFEDMO N#Cc1ccc2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164866940 721076118 /nfs/dbraw/zinc/07/61/18/721076118.db2.gz VHENEJQZAIUAFO-RTWAWAEBSA-N 1 1 385.471 2.981 20 30 GFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(F)cc3C#N)C2)C1 ZINC001164776759 721339664 /nfs/dbraw/zinc/33/96/64/721339664.db2.gz IHIIPXGITFKBSW-OAQYLSRUSA-N 1 1 399.470 2.816 20 30 GFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc(F)cc3C#N)C2)C1 ZINC001164776759 721339668 /nfs/dbraw/zinc/33/96/68/721339668.db2.gz IHIIPXGITFKBSW-OAQYLSRUSA-N 1 1 399.470 2.816 20 30 GFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C)c(C#N)n3)C2)C1 ZINC001164778318 721348096 /nfs/dbraw/zinc/34/80/96/721348096.db2.gz MQLITKSWCFWHTE-QFIPXVFZSA-N 1 1 395.507 2.986 20 30 GFEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cnc(C#N)c(C)n4)CC3)C2)cc1 ZINC001164940697 721929688 /nfs/dbraw/zinc/92/96/88/721929688.db2.gz XJGHSHYPFQMIMQ-UHFFFAOYSA-N 1 1 377.492 2.837 20 30 GFEDMO N#Cc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164978184 722102476 /nfs/dbraw/zinc/10/24/76/722102476.db2.gz GBJHUMQWLFTDAB-IEBWSBKVSA-N 1 1 383.883 2.729 20 30 GFEDMO N#Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164981773 722103042 /nfs/dbraw/zinc/10/30/42/722103042.db2.gz MJMMQWYZORIVIT-APWZRJJASA-N 1 1 383.883 2.729 20 30 GFEDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000299029867 563373206 /nfs/dbraw/zinc/37/32/06/563373206.db2.gz RKBFLFFUJZMXPC-UXGGDIESSA-N 1 1 381.567 2.772 20 30 GFEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000282022305 563394408 /nfs/dbraw/zinc/39/44/08/563394408.db2.gz KJNAPIOBGAHFIG-RHSMWYFYSA-N 1 1 380.286 2.917 20 30 GFEDMO N#Cc1ccc(Br)c(CN2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000375426655 563404910 /nfs/dbraw/zinc/40/49/10/563404910.db2.gz JNXKLNQIOWFTDM-SJORKVTESA-N 1 1 378.314 2.742 20 30 GFEDMO CCN1CC[NH+]([C@H]2CCN(Cc3ccc(Br)cc3C#N)C2)CC1 ZINC000376545453 563445958 /nfs/dbraw/zinc/44/59/58/563445958.db2.gz JVUUFLFBLVZXOF-SFHVURJKSA-N 1 1 377.330 2.533 20 30 GFEDMO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCOc2ccc(Br)cc2C1 ZINC000328758622 563464980 /nfs/dbraw/zinc/46/49/80/563464980.db2.gz WAQYXZKNELWLEW-AWEZNQCLSA-N 1 1 391.269 2.769 20 30 GFEDMO O=C(CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)Nc1cccc(Br)c1 ZINC000330096936 563495758 /nfs/dbraw/zinc/49/57/58/563495758.db2.gz AEFQQQLJDJDSFC-GFCCVEGCSA-N 1 1 381.230 2.504 20 30 GFEDMO COC(=O)c1cc(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)ccc1Br ZINC000330861972 563524639 /nfs/dbraw/zinc/52/46/39/563524639.db2.gz SMNLYCDXICSBFL-WDEREUQCSA-N 1 1 384.274 2.806 20 30 GFEDMO Cc1cc(C)c(Br)c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000330911606 563526695 /nfs/dbraw/zinc/52/66/95/563526695.db2.gz WFEQAMUBPDUPDQ-UHFFFAOYSA-N 1 1 382.302 2.535 20 30 GFEDMO Cc1cccc(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1Br ZINC000330978734 563530079 /nfs/dbraw/zinc/53/00/79/563530079.db2.gz WKTATCOPTJNUIV-CQSZACIVSA-N 1 1 398.345 2.949 20 30 GFEDMO C[N@@H+]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@H](c2ccccc2)C1 ZINC000414467086 563741580 /nfs/dbraw/zinc/74/15/80/563741580.db2.gz VYFZJPHOTYTYMZ-RDJZCZTQSA-N 1 1 375.881 2.588 20 30 GFEDMO C[N@H+]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@H](c2ccccc2)C1 ZINC000414467086 563741582 /nfs/dbraw/zinc/74/15/82/563741582.db2.gz VYFZJPHOTYTYMZ-RDJZCZTQSA-N 1 1 375.881 2.588 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)cc1OC ZINC000365659734 563790126 /nfs/dbraw/zinc/79/01/26/563790126.db2.gz NSVCRVMFWHZVND-ZIAGYGMSSA-N 1 1 395.297 2.590 20 30 GFEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449856039 564205879 /nfs/dbraw/zinc/20/58/79/564205879.db2.gz NMGLKUBJKYVTBH-AWEZNQCLSA-N 1 1 380.286 2.690 20 30 GFEDMO CN(C1CC[NH+](CCC(F)(F)F)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000452100357 564391458 /nfs/dbraw/zinc/39/14/58/564391458.db2.gz ZLHVOLHGGQNVNW-UHFFFAOYSA-N 1 1 375.416 2.596 20 30 GFEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](CCO)c1ccccc1Br ZINC000581063734 564785989 /nfs/dbraw/zinc/78/59/89/564785989.db2.gz WOQUTYKKRNUOLL-WBVHZDCISA-N 1 1 382.302 2.517 20 30 GFEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](CCO)c1ccccc1Br ZINC000581063731 564786046 /nfs/dbraw/zinc/78/60/46/564786046.db2.gz WOQUTYKKRNUOLL-NVXWUHKLSA-N 1 1 382.302 2.517 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000560029985 564945375 /nfs/dbraw/zinc/94/53/75/564945375.db2.gz XSDXRZYMYHZOFE-LSDHHAIUSA-N 1 1 381.929 2.659 20 30 GFEDMO N#Cc1cccc(CC[NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)c1 ZINC000503585390 565024216 /nfs/dbraw/zinc/02/42/16/565024216.db2.gz BGXWNRZSAHKMDX-INIZCTEOSA-N 1 1 376.229 2.819 20 30 GFEDMO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2ccc(C#N)o2)c2cccs2)CC1 ZINC000562871642 565046219 /nfs/dbraw/zinc/04/62/19/565046219.db2.gz QUECBRBZWYDLIA-HNNXBMFYSA-N 1 1 379.507 2.964 20 30 GFEDMO COc1ccc(Br)cc1C1([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000592137505 565260282 /nfs/dbraw/zinc/26/02/82/565260282.db2.gz CSGHZNRZXWAIDD-QGZVFWFLSA-N 1 1 392.297 2.845 20 30 GFEDMO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)c1ccco1 ZINC000593010671 565306141 /nfs/dbraw/zinc/30/61/41/565306141.db2.gz KILRDQNGQDZAFQ-HNNXBMFYSA-N 1 1 376.254 2.875 20 30 GFEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccsc1C#N ZINC000593554572 565340496 /nfs/dbraw/zinc/34/04/96/565340496.db2.gz YZYJRSYTSJLFMG-INIZCTEOSA-N 1 1 375.519 2.762 20 30 GFEDMO CN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccsc1C#N ZINC000593557198 565340655 /nfs/dbraw/zinc/34/06/55/565340655.db2.gz OHKFKJJIEXRHCA-MRXNPFEDSA-N 1 1 375.519 2.905 20 30 GFEDMO CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccsc1C#N ZINC000593557198 565340657 /nfs/dbraw/zinc/34/06/57/565340657.db2.gz OHKFKJJIEXRHCA-MRXNPFEDSA-N 1 1 375.519 2.905 20 30 GFEDMO C[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CC[N@H+](C2CC2)C1 ZINC000593728783 565358607 /nfs/dbraw/zinc/35/86/07/565358607.db2.gz DZGVNIURACKPFA-CYBMUJFWSA-N 1 1 376.298 2.806 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000594775492 565418812 /nfs/dbraw/zinc/41/88/12/565418812.db2.gz BJFUZXLICAHUOM-GOSISDBHSA-N 1 1 375.519 2.798 20 30 GFEDMO C=CCCn1cc(C[NH2+]CCOc2ccc(I)cc2)nn1 ZINC000594941521 565437469 /nfs/dbraw/zinc/43/74/69/565437469.db2.gz USWYJDHEJFLJAU-UHFFFAOYSA-N 1 1 398.248 2.627 20 30 GFEDMO COc1ccc(Br)c([C@H](CO)[N@H+](C)C[C@H](O)CC(C)(C)C#N)c1 ZINC000598620254 565630111 /nfs/dbraw/zinc/63/01/11/565630111.db2.gz KXQDEJRRWWIGCH-WBMJQRKESA-N 1 1 385.302 2.724 20 30 GFEDMO COc1ccc(Br)c([C@H](CO)[N@@H+](C)C[C@H](O)CC(C)(C)C#N)c1 ZINC000598620254 565630116 /nfs/dbraw/zinc/63/01/16/565630116.db2.gz KXQDEJRRWWIGCH-WBMJQRKESA-N 1 1 385.302 2.724 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000599542263 565687792 /nfs/dbraw/zinc/68/77/92/565687792.db2.gz RVEXIINBOAUUDQ-BDAKNGLRSA-N 1 1 390.228 2.778 20 30 GFEDMO CC(C)[C@H](C#N)N1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000609538250 566042608 /nfs/dbraw/zinc/04/26/08/566042608.db2.gz PGWYVMVNVKYCFR-KRWDZBQOSA-N 1 1 393.329 2.943 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)c1ccc(Cl)cc1 ZINC000611024727 566111590 /nfs/dbraw/zinc/11/15/90/566111590.db2.gz SMHHGADHSLJONH-INIZCTEOSA-N 1 1 381.860 2.932 20 30 GFEDMO N#Cc1ccc(F)c(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000737718152 598249792 /nfs/dbraw/zinc/24/97/92/598249792.db2.gz KGISQMWCENUUDK-UHFFFAOYSA-N 1 1 378.411 2.921 20 30 GFEDMO N#Cc1ccc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)c4ccccc4n3)CC2)cc1 ZINC000737711868 599395959 /nfs/dbraw/zinc/39/59/59/599395959.db2.gz MCTUZXFIRNFEQW-UHFFFAOYSA-N 1 1 396.458 2.609 20 30 GFEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820093039 606889022 /nfs/dbraw/zinc/88/90/22/606889022.db2.gz RWGBCLQJKCHYBA-HXUWFJFHSA-N 1 1 376.464 2.930 20 30 GFEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820093038 606889412 /nfs/dbraw/zinc/88/94/12/606889412.db2.gz RWGBCLQJKCHYBA-FQEVSTJZSA-N 1 1 376.464 2.930 20 30 GFEDMO C#C[C@H](NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000836345730 660900774 /nfs/dbraw/zinc/90/07/74/660900774.db2.gz OKQDBDZWHKPWRA-GUYCJALGSA-N 1 1 376.298 2.907 20 30 GFEDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000266199620 654862704 /nfs/dbraw/zinc/86/27/04/654862704.db2.gz OGHALCMAESADFA-BXUZGUMPSA-N 1 1 375.416 2.538 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000838622823 661051302 /nfs/dbraw/zinc/05/13/02/661051302.db2.gz PGDXUTAHKKMFPN-UHFFFAOYSA-N 1 1 386.323 2.843 20 30 GFEDMO N#Cc1cccc(CS(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)c1 ZINC000261777901 655442241 /nfs/dbraw/zinc/44/22/41/655442241.db2.gz SVXKTWHCWGXYGF-SFHVURJKSA-N 1 1 375.881 2.688 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(I)c(F)c1 ZINC000729812026 655568873 /nfs/dbraw/zinc/56/88/73/655568873.db2.gz JOLJGULJLCMVLK-LBPRGKRZSA-N 1 1 387.192 2.685 20 30 GFEDMO C#CC[N@H+](CCCN1CCOCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000743848678 655732172 /nfs/dbraw/zinc/73/21/72/655732172.db2.gz XETXWZFBIMKUKJ-GOSISDBHSA-N 1 1 393.325 2.930 20 30 GFEDMO C#CCC[NH+]1CCN(C(=O)CCOc2ccc(C)cc2Br)CC1 ZINC000744425440 655740061 /nfs/dbraw/zinc/74/00/61/655740061.db2.gz MFSSENZUYHYUNY-UHFFFAOYSA-N 1 1 379.298 2.694 20 30 GFEDMO N#Cc1ccc([C@H](O)C[N@H+](CCO)Cc2cc(Br)cs2)cc1 ZINC000755179733 655880904 /nfs/dbraw/zinc/88/09/04/655880904.db2.gz JQYRHLCKWFQGHU-MRXNPFEDSA-N 1 1 381.295 2.910 20 30 GFEDMO C#CC[N@H+](C[C@H](O)CCOCC)[C@H]1CCOc2ccc(Br)cc21 ZINC000769727522 656288274 /nfs/dbraw/zinc/28/82/74/656288274.db2.gz WWVNQTBXKJUPEK-WBVHZDCISA-N 1 1 382.298 2.995 20 30 GFEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@H](O)c3ccccc3Br)C2)nc1 ZINC000794832710 658620698 /nfs/dbraw/zinc/62/06/98/658620698.db2.gz MUCPDJQZQDGROW-PBHICJAKSA-N 1 1 388.265 2.902 20 30 GFEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@H](O)c3ccccc3Br)C2)nc1 ZINC000794832710 658620722 /nfs/dbraw/zinc/62/07/22/658620722.db2.gz MUCPDJQZQDGROW-PBHICJAKSA-N 1 1 388.265 2.902 20 30 GFEDMO N#Cc1ccncc1N1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000795043295 658652664 /nfs/dbraw/zinc/65/26/64/658652664.db2.gz QDZLCZOXYMYLOJ-GOSISDBHSA-N 1 1 387.281 2.571 20 30 GFEDMO C#CCNC(=O)C1CC[NH+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC000795878829 658866266 /nfs/dbraw/zinc/86/62/66/658866266.db2.gz GAWNRZGSMYJNKI-UHFFFAOYSA-N 1 1 376.254 2.552 20 30 GFEDMO C#CCC[NH+]1CCN(C(=O)C2(c3cc(F)cc(Br)c3)CC2)CC1 ZINC000795912753 658870712 /nfs/dbraw/zinc/87/07/12/658870712.db2.gz CLRMBQBODNHJKX-UHFFFAOYSA-N 1 1 379.273 2.787 20 30 GFEDMO C#CC[N@@H+](CCN1CCO[C@@H](C)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000800344411 659303232 /nfs/dbraw/zinc/30/32/32/659303232.db2.gz GSFGLQHMFAESIQ-MAUKXSAKSA-N 1 1 393.325 2.929 20 30 GFEDMO C#CC[N@H+](CCN1CCO[C@@H](C)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000800344411 659303236 /nfs/dbraw/zinc/30/32/36/659303236.db2.gz GSFGLQHMFAESIQ-MAUKXSAKSA-N 1 1 393.325 2.929 20 30 GFEDMO C#C[C@H](NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)C(C)(C)C ZINC000807535147 659858630 /nfs/dbraw/zinc/85/86/30/659858630.db2.gz CWZJBLRRKHTUBG-HNNXBMFYSA-N 1 1 394.313 2.613 20 30 GFEDMO C#CCN1CCN(C(=O)C[NH2+][C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000810023431 659956748 /nfs/dbraw/zinc/95/67/48/659956748.db2.gz POWGMIQVLDJAEC-IBGZPJMESA-N 1 1 380.319 2.812 20 30 GFEDMO C#CC1CC[NH+](Cn2c(=O)oc3cc(I)ccc32)CC1 ZINC000842637105 661346665 /nfs/dbraw/zinc/34/66/65/661346665.db2.gz RNXVBXXCKKSSRS-UHFFFAOYSA-N 1 1 382.201 2.502 20 30 GFEDMO CCCCCC[N@@H+](C)CC(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O ZINC000848376137 661644691 /nfs/dbraw/zinc/64/46/91/661644691.db2.gz LGBZCIFYIJPQRT-UHFFFAOYSA-N 1 1 397.317 2.682 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OCC#Cc2ccc(Br)cn2)C1 ZINC000851275185 661812349 /nfs/dbraw/zinc/81/23/49/661812349.db2.gz IJZDWPRTDURRBF-KRWDZBQOSA-N 1 1 383.261 2.951 20 30 GFEDMO C=C(Cl)C[C@@H]1NC(=O)N(C[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1=O ZINC000865306885 662411811 /nfs/dbraw/zinc/41/18/11/662411811.db2.gz KAWZXHVVRFXADQ-CVEARBPZSA-N 1 1 379.913 2.667 20 30 GFEDMO C=CCC1(O)CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000886778596 663118169 /nfs/dbraw/zinc/11/81/69/663118169.db2.gz JDBAQZXMBSTZJY-INIZCTEOSA-N 1 1 379.298 2.957 20 30 GFEDMO N#Cc1cc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c([N+](=O)[O-])s1 ZINC000891986997 663357730 /nfs/dbraw/zinc/35/77/30/663357730.db2.gz SPNUGKXZVDOODU-UHFFFAOYSA-N 1 1 378.376 2.619 20 30 GFEDMO Cn1ncc(I)c1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000895237672 663504307 /nfs/dbraw/zinc/50/43/07/663504307.db2.gz UINVNZBBIWZHAG-UHFFFAOYSA-N 1 1 380.233 2.921 20 30 GFEDMO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000913901069 664364598 /nfs/dbraw/zinc/36/45/98/664364598.db2.gz NTMVYAGFUGHMRB-SFHVURJKSA-N 1 1 377.535 2.959 20 30 GFEDMO N#Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)cc1Br ZINC000931381128 664793249 /nfs/dbraw/zinc/79/32/49/664793249.db2.gz WBNYOFHIWBWLCD-HNNXBMFYSA-N 1 1 393.285 2.696 20 30 GFEDMO O=C(C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)N1CCCC1 ZINC000932941495 664843518 /nfs/dbraw/zinc/84/35/18/664843518.db2.gz CEBNTZHWOORESA-IUCAKERBSA-N 1 1 380.279 2.712 20 30 GFEDMO CC(C)(O)C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945400 664844211 /nfs/dbraw/zinc/84/42/11/664844211.db2.gz WOIQJLBQHOXHJX-HLTSFMKQSA-N 1 1 385.295 2.611 20 30 GFEDMO Cc1csc(C[C@H]2CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)n1 ZINC000933129180 664850406 /nfs/dbraw/zinc/85/04/06/664850406.db2.gz JUNTYLLEGHCHSV-MRXNPFEDSA-N 1 1 375.519 2.662 20 30 GFEDMO Cc1csc(C[C@H]2CC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)n1 ZINC000933129180 664850408 /nfs/dbraw/zinc/85/04/08/664850408.db2.gz JUNTYLLEGHCHSV-MRXNPFEDSA-N 1 1 375.519 2.662 20 30 GFEDMO Cc1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001164770225 721080816 /nfs/dbraw/zinc/08/08/16/721080816.db2.gz PFEMXEBAQIYEIS-DLBZAZTESA-N 1 1 384.915 2.915 20 30 GFEDMO CC(C)c1ccc(C#N)c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164892871 721387716 /nfs/dbraw/zinc/38/77/16/721387716.db2.gz UBXRIINOZZYVPE-REWPJTCUSA-N 1 1 397.567 2.842 20 30 GFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)ccc1C#N)CC2 ZINC001164790576 721453977 /nfs/dbraw/zinc/45/39/77/721453977.db2.gz ZSKBPZRJXBKKOV-OAQYLSRUSA-N 1 1 398.551 2.996 20 30 GFEDMO Cc1nc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164903436 721535574 /nfs/dbraw/zinc/53/55/74/721535574.db2.gz CNPCIUXOLSRXJI-HOCLYGCPSA-N 1 1 387.846 2.791 20 30 GFEDMO C=CCOc1cc(C)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164806673 721556298 /nfs/dbraw/zinc/55/62/98/721556298.db2.gz QQOAFVMSDYGXIL-DYXWJJEUSA-N 1 1 395.507 2.613 20 30 GFEDMO C=CCOc1cc(C)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164806673 721556302 /nfs/dbraw/zinc/55/63/02/721556302.db2.gz QQOAFVMSDYGXIL-DYXWJJEUSA-N 1 1 395.507 2.613 20 30 GFEDMO CCc1nc(C#N)c(C#N)nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164963412 722023997 /nfs/dbraw/zinc/02/39/97/722023997.db2.gz SWDQCQQKWUDOGT-UHFFFAOYSA-N 1 1 387.491 2.670 20 30 GFEDMO N#Cc1cnc2cc[nH]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c1-2 ZINC001164983349 722135476 /nfs/dbraw/zinc/13/54/76/722135476.db2.gz UNHMSIBMRQNQNQ-XLIONFOSSA-N 1 1 388.475 2.557 20 30 GFEDMO N#Cc1cc2c(nc1N1CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C1)CCC2 ZINC001164981620 722140695 /nfs/dbraw/zinc/14/06/95/722140695.db2.gz PQFCDTHAYWZCOA-KNQAVFIVSA-N 1 1 389.503 2.564 20 30 GFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1cccc(Cl)c1Cl ZINC000153251682 551449007 /nfs/dbraw/zinc/44/90/07/551449007.db2.gz PDBOCVZXCWOZAG-UHFFFAOYSA-N 1 1 381.267 2.673 20 30 GFEDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000157616523 551540446 /nfs/dbraw/zinc/54/04/46/551540446.db2.gz IGRALWBBPHJRLP-LBPRGKRZSA-N 1 1 375.416 2.539 20 30 GFEDMO C[N@@H+]1CC[C@H](CNS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000166211653 551631517 /nfs/dbraw/zinc/63/15/17/551631517.db2.gz ULHZEUQADFRFQC-CJNGLKHVSA-N 1 1 385.892 2.695 20 30 GFEDMO C[N@H+]1CC[C@H](CNS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000166211653 551631519 /nfs/dbraw/zinc/63/15/19/551631519.db2.gz ULHZEUQADFRFQC-CJNGLKHVSA-N 1 1 385.892 2.695 20 30 GFEDMO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000180239296 552218601 /nfs/dbraw/zinc/21/86/01/552218601.db2.gz UGRJHBRXYIGLCL-UHFFFAOYSA-N 1 1 379.869 2.953 20 30 GFEDMO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000190461570 552497196 /nfs/dbraw/zinc/49/71/96/552497196.db2.gz NVIKUCRKKMJVPA-PIGZYNQJSA-N 1 1 380.286 2.917 20 30 GFEDMO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000191814760 552538848 /nfs/dbraw/zinc/53/88/48/552538848.db2.gz KKBSVQBDZGNGQT-KRWDZBQOSA-N 1 1 389.297 3.000 20 30 GFEDMO C[N@@H+](Cc1ccc(Br)cc1C#N)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296673082 563296184 /nfs/dbraw/zinc/29/61/84/563296184.db2.gz KVGNKLLVKPRPBZ-OAHLLOKOSA-N 1 1 398.301 2.638 20 30 GFEDMO C[N@H+](Cc1ccc(Br)cc1C#N)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296673082 563296189 /nfs/dbraw/zinc/29/61/89/563296189.db2.gz KVGNKLLVKPRPBZ-OAHLLOKOSA-N 1 1 398.301 2.638 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@](C)(C(=O)NC)C2)cc1OC ZINC000281165427 563368431 /nfs/dbraw/zinc/36/84/31/563368431.db2.gz QFBDPZRHLGATJM-GOSISDBHSA-N 1 1 397.313 2.981 20 30 GFEDMO N#Cc1ccc(Br)c(CN2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000375426654 563405165 /nfs/dbraw/zinc/40/51/65/563405165.db2.gz JNXKLNQIOWFTDM-IRXDYDNUSA-N 1 1 378.314 2.742 20 30 GFEDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)cc1 ZINC000284935160 563495211 /nfs/dbraw/zinc/49/52/11/563495211.db2.gz YLMHEHMOAWEHCQ-LBPRGKRZSA-N 1 1 377.491 2.703 20 30 GFEDMO N#Cc1cccc(NC(=O)C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000429011339 563507196 /nfs/dbraw/zinc/50/71/96/563507196.db2.gz RGSNFLMRTFHZTR-INIZCTEOSA-N 1 1 392.228 2.722 20 30 GFEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(Br)cnc2N(C)C)C1 ZINC000330733053 563519018 /nfs/dbraw/zinc/51/90/18/563519018.db2.gz KIKWBEKCIYIEHU-AWEZNQCLSA-N 1 1 399.333 2.572 20 30 GFEDMO COCC[N@@H+]1CCN(C(=O)Nc2ccc(OC)c(Br)c2)C[C@@H]1C ZINC000330807806 563522389 /nfs/dbraw/zinc/52/23/89/563522389.db2.gz AJIGFZRDQXEWSC-LBPRGKRZSA-N 1 1 386.290 2.656 20 30 GFEDMO COCC[N@H+]1CCN(C(=O)Nc2ccc(OC)c(Br)c2)C[C@@H]1C ZINC000330807806 563522390 /nfs/dbraw/zinc/52/23/90/563522390.db2.gz AJIGFZRDQXEWSC-LBPRGKRZSA-N 1 1 386.290 2.656 20 30 GFEDMO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000330938426 563528031 /nfs/dbraw/zinc/52/80/31/563528031.db2.gz BYDRIENXMYUDRR-NQBHXWOUSA-N 1 1 387.311 2.767 20 30 GFEDMO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000330938426 563528035 /nfs/dbraw/zinc/52/80/35/563528035.db2.gz BYDRIENXMYUDRR-NQBHXWOUSA-N 1 1 387.311 2.767 20 30 GFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C#N)s1 ZINC000398049204 563532928 /nfs/dbraw/zinc/53/29/28/563532928.db2.gz VMAWWTCQLKBZRR-WMLDXEAASA-N 1 1 375.519 2.809 20 30 GFEDMO C[N@@H+](CCCO)C1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000287197530 563591235 /nfs/dbraw/zinc/59/12/35/563591235.db2.gz LOBYBIYXCWBZKC-UHFFFAOYSA-N 1 1 395.301 2.631 20 30 GFEDMO N#Cc1c(Br)cccc1S(=O)(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000332465443 563600379 /nfs/dbraw/zinc/60/03/79/563600379.db2.gz RQEDYFLOKICFAA-UHFFFAOYSA-N 1 1 398.326 2.570 20 30 GFEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000333564803 563635807 /nfs/dbraw/zinc/63/58/07/563635807.db2.gz OQWJLSMBVAOCFM-RHSMWYFYSA-N 1 1 392.297 2.642 20 30 GFEDMO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000365505926 563785154 /nfs/dbraw/zinc/78/51/54/563785154.db2.gz FYHFDOHBHRCLDD-QAPCUYQASA-N 1 1 375.519 2.900 20 30 GFEDMO CC(C)(O)C[N@H+]1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000368577713 563875037 /nfs/dbraw/zinc/87/50/37/563875037.db2.gz XTDHGDDHDJRWKX-UHFFFAOYSA-N 1 1 395.301 2.631 20 30 GFEDMO COC(=O)CC[N@@H+]1CCN(c2cc(Br)c(C#N)cc2F)[C@@H](C)C1 ZINC000563426158 564190239 /nfs/dbraw/zinc/19/02/39/564190239.db2.gz GTWPOWLPSUUMKR-NSHDSACASA-N 1 1 384.249 2.533 20 30 GFEDMO COC(=O)CC[N@H+]1CCN(c2cc(Br)c(C#N)cc2F)[C@@H](C)C1 ZINC000563426158 564190243 /nfs/dbraw/zinc/19/02/43/564190243.db2.gz GTWPOWLPSUUMKR-NSHDSACASA-N 1 1 384.249 2.533 20 30 GFEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449628999 564193572 /nfs/dbraw/zinc/19/35/72/564193572.db2.gz JVBMTNPDQQDZLY-ZDUSSCGKSA-N 1 1 380.286 2.690 20 30 GFEDMO CCOCC[N@@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1CC ZINC000449879195 564207357 /nfs/dbraw/zinc/20/73/57/564207357.db2.gz FQFDHNFXZKOTOM-HNNXBMFYSA-N 1 1 394.313 2.894 20 30 GFEDMO CCOCC[N@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1CC ZINC000449879195 564207362 /nfs/dbraw/zinc/20/73/62/564207362.db2.gz FQFDHNFXZKOTOM-HNNXBMFYSA-N 1 1 394.313 2.894 20 30 GFEDMO C[C@H]1C[C@H](N(C)C(=O)COc2cccc(Br)c2C#N)CC[N@H+]1C ZINC000449929127 564209645 /nfs/dbraw/zinc/20/96/45/564209645.db2.gz ROZNSTYHJRRMGJ-QWHCGFSZSA-N 1 1 380.286 2.641 20 30 GFEDMO C[N@H+](CCNS(=O)(=O)c1ccc(CC#N)cc1Cl)Cc1ccccc1 ZINC000451107441 564275990 /nfs/dbraw/zinc/27/59/90/564275990.db2.gz ROZLJMZZSXQGIH-UHFFFAOYSA-N 1 1 377.897 2.816 20 30 GFEDMO C[N@@H+](CCNS(=O)(=O)c1ccc(CC#N)cc1Cl)Cc1ccccc1 ZINC000451107441 564275995 /nfs/dbraw/zinc/27/59/95/564275995.db2.gz ROZLJMZZSXQGIH-UHFFFAOYSA-N 1 1 377.897 2.816 20 30 GFEDMO C=CCSCCNC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000509167445 564284541 /nfs/dbraw/zinc/28/45/41/564284541.db2.gz DOFMDWKMZDCRIA-UHFFFAOYSA-N 1 1 382.961 2.680 20 30 GFEDMO CN(C(=O)COc1ccc(C#N)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000451692104 564340508 /nfs/dbraw/zinc/34/05/08/564340508.db2.gz DQHHDYZRHAJRLG-YIONKMFJSA-N 1 1 392.297 2.783 20 30 GFEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000543552697 564354278 /nfs/dbraw/zinc/35/42/78/564354278.db2.gz APTBQGIQXYGEBA-AWEZNQCLSA-N 1 1 398.320 2.739 20 30 GFEDMO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ncc(Br)cn1 ZINC000571620543 564559257 /nfs/dbraw/zinc/55/92/57/564559257.db2.gz NCBAQIKXHGKNTI-VIFPVBQESA-N 1 1 380.271 2.852 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000458046024 564685549 /nfs/dbraw/zinc/68/55/49/564685549.db2.gz XRTPQHVPHWHVDT-ZDUSSCGKSA-N 1 1 382.302 2.588 20 30 GFEDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487879451 564697942 /nfs/dbraw/zinc/69/79/42/564697942.db2.gz LLMZRBWMDMYKSW-UHFFFAOYSA-N 1 1 395.301 2.895 20 30 GFEDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487879451 564697943 /nfs/dbraw/zinc/69/79/43/564697943.db2.gz LLMZRBWMDMYKSW-UHFFFAOYSA-N 1 1 395.301 2.895 20 30 GFEDMO N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000530023264 564860203 /nfs/dbraw/zinc/86/02/03/564860203.db2.gz SIMMRBNLZQZMFA-AWEZNQCLSA-N 1 1 392.297 2.833 20 30 GFEDMO Cc1ccc2c(ncc(C#N)c2N2CC[N@@H+]3CCOC[C@H]3C2)c1Br ZINC000530486730 564884381 /nfs/dbraw/zinc/88/43/81/564884381.db2.gz GUNFWCSQAHLHQN-CQSZACIVSA-N 1 1 387.281 2.698 20 30 GFEDMO Cc1ccc2c(ncc(C#N)c2N2CC[N@H+]3CCOC[C@H]3C2)c1Br ZINC000530486730 564884385 /nfs/dbraw/zinc/88/43/85/564884385.db2.gz GUNFWCSQAHLHQN-CQSZACIVSA-N 1 1 387.281 2.698 20 30 GFEDMO C[N@@H+]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000498850324 564910256 /nfs/dbraw/zinc/91/02/56/564910256.db2.gz AHVQTLAZCYAGFW-SJLPKXTDSA-N 1 1 375.881 2.588 20 30 GFEDMO C[N@H+]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000498850324 564910258 /nfs/dbraw/zinc/91/02/58/564910258.db2.gz AHVQTLAZCYAGFW-SJLPKXTDSA-N 1 1 375.881 2.588 20 30 GFEDMO C=CCN1CC[C@@H]([NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)C1=O ZINC000499601831 564932247 /nfs/dbraw/zinc/93/22/47/564932247.db2.gz FTQDRRIJEVLZBJ-BXUZGUMPSA-N 1 1 381.270 2.658 20 30 GFEDMO C=CCC[C@H](O)C[N@H+](CCNC(C)=O)Cc1ccc(Br)s1 ZINC000503210184 565013828 /nfs/dbraw/zinc/01/38/28/565013828.db2.gz NSETTXFBRFLOJF-ZDUSSCGKSA-N 1 1 375.332 2.776 20 30 GFEDMO N#Cc1sccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000593537399 565338782 /nfs/dbraw/zinc/33/87/82/565338782.db2.gz CDTVGRDLQPDETD-CYBMUJFWSA-N 1 1 381.548 2.872 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(CC#N)c1)c1ccc(Cl)cc1 ZINC000619488677 565344581 /nfs/dbraw/zinc/34/45/81/565344581.db2.gz SVNPCGDNNIFWSD-SFHVURJKSA-N 1 1 377.897 2.987 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000594748750 565413953 /nfs/dbraw/zinc/41/39/53/565413953.db2.gz OCFGUYPDJHLULQ-CVEARBPZSA-N 1 1 375.519 2.987 20 30 GFEDMO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)cc1 ZINC000595828184 565492328 /nfs/dbraw/zinc/49/23/28/565492328.db2.gz IPPNSZNYSLFPEB-GUYCJALGSA-N 1 1 381.259 2.928 20 30 GFEDMO N#CC1(C[C@@H](O)C[N@@H+]2CCc3cccc(Br)c3C2)CCOCC1 ZINC000599303961 565668649 /nfs/dbraw/zinc/66/86/49/565668649.db2.gz NRGXALFTQUQXKT-OAHLLOKOSA-N 1 1 379.298 2.879 20 30 GFEDMO N#CC1(C[C@@H](O)C[N@H+]2CCc3cccc(Br)c3C2)CCOCC1 ZINC000599303961 565668654 /nfs/dbraw/zinc/66/86/54/565668654.db2.gz NRGXALFTQUQXKT-OAHLLOKOSA-N 1 1 379.298 2.879 20 30 GFEDMO C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC000627734438 565749477 /nfs/dbraw/zinc/74/94/77/565749477.db2.gz SRVNZLCQCAUCHM-ZDUSSCGKSA-N 1 1 394.313 2.874 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccccc1CC#N)c1ccc(Cl)cc1 ZINC000601411888 565782092 /nfs/dbraw/zinc/78/20/92/565782092.db2.gz IEJOUMGQMBOOAP-KRWDZBQOSA-N 1 1 377.897 2.987 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)CCOc1ccc(Cl)cc1Br ZINC000818603328 660230022 /nfs/dbraw/zinc/23/00/22/660230022.db2.gz YHKXGULVWAPIAU-UHFFFAOYSA-N 1 1 387.705 2.943 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000818603142 660230031 /nfs/dbraw/zinc/23/00/31/660230031.db2.gz PKXMZQKCODBNRG-UHFFFAOYSA-N 1 1 375.270 2.524 20 30 GFEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)s1 ZINC000819404540 660258282 /nfs/dbraw/zinc/25/82/82/660258282.db2.gz LHANUDXQCSEPIC-AAEUAGOBSA-N 1 1 389.974 2.674 20 30 GFEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000819404540 660258284 /nfs/dbraw/zinc/25/82/84/660258284.db2.gz LHANUDXQCSEPIC-AAEUAGOBSA-N 1 1 389.974 2.674 20 30 GFEDMO N#Cc1c(Br)cccc1OCC(=O)O[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000835394906 660854783 /nfs/dbraw/zinc/85/47/83/660854783.db2.gz CKTUHWXPSZZVSL-STQMWFEESA-N 1 1 379.254 2.870 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)N(C)Cc1cc(Br)ccc1OC ZINC000836487597 660910165 /nfs/dbraw/zinc/91/01/65/660910165.db2.gz PRVFMQYATSOLOI-UHFFFAOYSA-N 1 1 382.302 2.554 20 30 GFEDMO N#Cc1cccc(OCC[NH+]2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000051537210 654725436 /nfs/dbraw/zinc/72/54/36/654725436.db2.gz YSFJORKVCXWDGZ-UHFFFAOYSA-N 1 1 387.281 2.917 20 30 GFEDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000266199623 654862630 /nfs/dbraw/zinc/86/26/30/654862630.db2.gz OGHALCMAESADFA-SMDDNHRTSA-N 1 1 375.416 2.538 20 30 GFEDMO N#Cc1cccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000064599481 654872448 /nfs/dbraw/zinc/87/24/48/654872448.db2.gz VEIQIDXSMUYTAA-MRXNPFEDSA-N 1 1 375.519 2.810 20 30 GFEDMO C=C(Br)CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000171186112 655149412 /nfs/dbraw/zinc/14/94/12/655149412.db2.gz DKRGRWLFRZPTCQ-CQSZACIVSA-N 1 1 382.302 2.615 20 30 GFEDMO C=C(Br)CNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000171186112 655149413 /nfs/dbraw/zinc/14/94/13/655149413.db2.gz DKRGRWLFRZPTCQ-CQSZACIVSA-N 1 1 382.302 2.615 20 30 GFEDMO C#CCC[NH+]1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000744371071 655739414 /nfs/dbraw/zinc/73/94/14/655739414.db2.gz NHLPYIYSJCKELA-UHFFFAOYSA-N 1 1 385.689 2.649 20 30 GFEDMO C#CCNC(=O)C1CC[NH+](CCOc2ccc(Cl)cc2Br)CC1 ZINC000747823229 655784014 /nfs/dbraw/zinc/78/40/14/655784014.db2.gz QBZCBOSWUGLLSV-UHFFFAOYSA-N 1 1 399.716 2.943 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(OC)cc1I ZINC000756542069 655901759 /nfs/dbraw/zinc/90/17/59/655901759.db2.gz FIBXKMTWLVNBSG-LBPRGKRZSA-N 1 1 399.228 2.554 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC000801715278 659419167 /nfs/dbraw/zinc/41/91/67/659419167.db2.gz CRGXAKSPNLPIFJ-MRXNPFEDSA-N 1 1 381.860 2.932 20 30 GFEDMO C#CCN(C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000809946009 659952964 /nfs/dbraw/zinc/95/29/64/659952964.db2.gz KMIMKMLQARDPTK-SJLPKXTDSA-N 1 1 393.325 2.663 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(Br)ccc1OC(F)F ZINC000843896548 661396002 /nfs/dbraw/zinc/39/60/02/661396002.db2.gz GXXVKMPZSQYIIF-UHFFFAOYSA-N 1 1 375.213 2.735 20 30 GFEDMO Cn1nc(Br)c2c1ncnc2N=NC1CCC[N@H+]2CCCC[C@H]12 ZINC000848403937 661645849 /nfs/dbraw/zinc/64/58/49/661645849.db2.gz FXZHDUMKWABENA-LLVKDONJSA-N 1 1 378.278 2.542 20 30 GFEDMO COC(=O)C1(C#N)CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000878675946 662902231 /nfs/dbraw/zinc/90/22/31/662902231.db2.gz MUQUWCMSFOQSAF-AWEZNQCLSA-N 1 1 387.263 2.512 20 30 GFEDMO N#Cc1ccc(C2CC[NH+](C[C@H](O)c3cc(Br)no3)CC2)nc1 ZINC000879023725 662913528 /nfs/dbraw/zinc/91/35/28/662913528.db2.gz QDPPKRHLHWGWED-AWEZNQCLSA-N 1 1 377.242 2.617 20 30 GFEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](COC)c1cccc(Br)c1 ZINC000879662549 662934972 /nfs/dbraw/zinc/93/49/72/662934972.db2.gz CTJJSLYZVPDNSH-XJKSGUPXSA-N 1 1 382.302 2.734 20 30 GFEDMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(Br)c(C#N)n3)C2)C1 ZINC000883110936 663049693 /nfs/dbraw/zinc/04/96/93/663049693.db2.gz OKOCDLGQPYCEDE-INIZCTEOSA-N 1 1 378.274 2.665 20 30 GFEDMO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCNc1ccc(C#N)cn1 ZINC000897397362 663604099 /nfs/dbraw/zinc/60/40/99/663604099.db2.gz YXNSWVHFAFVSLM-UHFFFAOYSA-N 1 1 378.885 2.602 20 30 GFEDMO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(C#N)ccc1Br ZINC000897990763 663629252 /nfs/dbraw/zinc/62/92/52/663629252.db2.gz YTFZPIRNLKEDMQ-AWEZNQCLSA-N 1 1 389.253 2.929 20 30 GFEDMO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000908661716 664120604 /nfs/dbraw/zinc/12/06/04/664120604.db2.gz GGRDHRIOXNCVKS-PXAZEXFGSA-N 1 1 391.317 2.610 20 30 GFEDMO C[N@@H+]1CC[C@H](CNS(=O)(=O)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000914306531 664397541 /nfs/dbraw/zinc/39/75/41/664397541.db2.gz NWSSPJDZKWFZBP-CJNGLKHVSA-N 1 1 387.908 2.941 20 30 GFEDMO C[N@H+]1CC[C@H](CNS(=O)(=O)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000914306531 664397544 /nfs/dbraw/zinc/39/75/44/664397544.db2.gz NWSSPJDZKWFZBP-CJNGLKHVSA-N 1 1 387.908 2.941 20 30 GFEDMO N#Cc1ccc(Br)c(C[NH2+]Cc2cccnc2N2CCOCC2)c1 ZINC000921521109 664551826 /nfs/dbraw/zinc/55/18/26/664551826.db2.gz JRNZDDNMAAWKJK-UHFFFAOYSA-N 1 1 387.281 2.842 20 30 GFEDMO N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928075485 664721849 /nfs/dbraw/zinc/72/18/49/664721849.db2.gz CXZPWHPZVXSGCY-HOTGVXAUSA-N 1 1 394.338 2.559 20 30 GFEDMO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(C#N)cc2I)CC[N@@H+]1C ZINC000932550508 664826369 /nfs/dbraw/zinc/82/63/69/664826369.db2.gz DIXPZQZRZNODNE-MNOVXSKESA-N 1 1 398.248 2.719 20 30 GFEDMO C[C@@H]1C[C@H](NC(=O)Nc2ccc(C#N)cc2I)CC[N@H+]1C ZINC000932557412 664828560 /nfs/dbraw/zinc/82/85/60/664828560.db2.gz KRCKRXDRJGBDQF-ZYHUDNBSSA-N 1 1 398.248 2.767 20 30 GFEDMO Cc1csc(C[C@@H]2CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)n1 ZINC000933129179 664850391 /nfs/dbraw/zinc/85/03/91/664850391.db2.gz JUNTYLLEGHCHSV-INIZCTEOSA-N 1 1 375.519 2.662 20 30 GFEDMO Cc1csc(C[C@@H]2CC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)n1 ZINC000933129179 664850394 /nfs/dbraw/zinc/85/03/94/664850394.db2.gz JUNTYLLEGHCHSV-INIZCTEOSA-N 1 1 375.519 2.662 20 30 GFEDMO Cc1csc(C[C@@H]2CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)n1 ZINC000933133500 664850527 /nfs/dbraw/zinc/85/05/27/664850527.db2.gz ICLJPODBFDOSQB-INIZCTEOSA-N 1 1 375.519 2.662 20 30 GFEDMO Cc1csc(C[C@@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)n1 ZINC000933133500 664850528 /nfs/dbraw/zinc/85/05/28/664850528.db2.gz ICLJPODBFDOSQB-INIZCTEOSA-N 1 1 375.519 2.662 20 30 GFEDMO CCCc1cc(C#N)c(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)nc1Cl ZINC001164853083 720861225 /nfs/dbraw/zinc/86/12/25/720861225.db2.gz GJHKWICSDDBVEE-SJLPKXTDSA-N 1 1 392.931 2.733 20 30 GFEDMO CSc1nc(Cl)c(C#N)c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164779879 721388019 /nfs/dbraw/zinc/38/80/19/721388019.db2.gz CXIVGXUBIIUUOJ-QWRGUYRKSA-N 1 1 392.941 2.748 20 30 GFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1C#N)CC2 ZINC001164787688 721450858 /nfs/dbraw/zinc/45/08/58/721450858.db2.gz PKCMZWRESNUQMG-HXUWFJFHSA-N 1 1 384.524 2.687 20 30 GFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)cc2C#N)[C@@H]2CCCO[C@H]12 ZINC001164798584 721569692 /nfs/dbraw/zinc/56/96/92/721569692.db2.gz BNHZLNOWFCFGIZ-QRVBRYPASA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)cc2C#N)[C@@H]2CCCO[C@H]12 ZINC001164798584 721569697 /nfs/dbraw/zinc/56/96/97/721569697.db2.gz BNHZLNOWFCFGIZ-QRVBRYPASA-N 1 1 383.883 2.870 20 30 GFEDMO C=CC[NH+]1CCN(c2ncccc2C(=O)NCCSCc2ccco2)CC1 ZINC001165032563 721868570 /nfs/dbraw/zinc/86/85/70/721868570.db2.gz YQEUEMUPFZPAGF-UHFFFAOYSA-N 1 1 386.521 2.646 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c(F)c1 ZINC000151017677 551405699 /nfs/dbraw/zinc/40/56/99/551405699.db2.gz SLGWFDQWSRTHCL-HNNXBMFYSA-N 1 1 379.482 2.874 20 30 GFEDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000156987115 551531532 /nfs/dbraw/zinc/53/15/32/551531532.db2.gz ZOFOVXGHJVGPST-LBPRGKRZSA-N 1 1 375.416 2.587 20 30 GFEDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1ccccc1 ZINC000180222409 552218162 /nfs/dbraw/zinc/21/81/62/552218162.db2.gz LXXYGRUEYVGTFN-WMZOPIPTSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1ccccc1 ZINC000180222409 552218165 /nfs/dbraw/zinc/21/81/65/552218165.db2.gz LXXYGRUEYVGTFN-WMZOPIPTSA-N 1 1 375.881 2.935 20 30 GFEDMO C[C@H]([NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2)C(=O)N(C)CCC#N ZINC000180476622 552227326 /nfs/dbraw/zinc/22/73/26/552227326.db2.gz NHEULRJVOWQPOL-RYUDHWBXSA-N 1 1 396.285 2.631 20 30 GFEDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000245666181 553095034 /nfs/dbraw/zinc/09/50/34/553095034.db2.gz QZPHCKYZHRHXCO-QZTJIDSGSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000245666181 553095037 /nfs/dbraw/zinc/09/50/37/553095037.db2.gz QZPHCKYZHRHXCO-QZTJIDSGSA-N 1 1 375.881 2.935 20 30 GFEDMO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000324112531 563451753 /nfs/dbraw/zinc/45/17/53/563451753.db2.gz GOUZYLNIWLARRZ-HNNXBMFYSA-N 1 1 375.519 2.762 20 30 GFEDMO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000324112531 563451754 /nfs/dbraw/zinc/45/17/54/563451754.db2.gz GOUZYLNIWLARRZ-HNNXBMFYSA-N 1 1 375.519 2.762 20 30 GFEDMO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCOc2ccc(Br)cc2C1 ZINC000328758624 563464521 /nfs/dbraw/zinc/46/45/21/563464521.db2.gz WAQYXZKNELWLEW-CQSZACIVSA-N 1 1 391.269 2.769 20 30 GFEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)C1 ZINC000330683087 563517520 /nfs/dbraw/zinc/51/75/20/563517520.db2.gz IKQQTDLIMQLPHY-GFCCVEGCSA-N 1 1 387.933 2.803 20 30 GFEDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3cc(C#N)ccc3Br)CC2)C1 ZINC000365189469 563776357 /nfs/dbraw/zinc/77/63/57/563776357.db2.gz CAKCRWJXYVTNNF-QGZVFWFLSA-N 1 1 377.330 2.533 20 30 GFEDMO CC(C)C[C@@H](CNC(=O)c1ccc(Br)cc1C#N)[NH+]1CCOCC1 ZINC000448632462 563899031 /nfs/dbraw/zinc/89/90/31/563899031.db2.gz JZCATWMGRXZYEI-INIZCTEOSA-N 1 1 394.313 2.797 20 30 GFEDMO C[NH+](C)[C@@H](CNC(=O)COc1ccc(C#N)c(Br)c1)c1ccco1 ZINC000449059480 563906316 /nfs/dbraw/zinc/90/63/16/563906316.db2.gz AVZVMLGEMCHHLK-HNNXBMFYSA-N 1 1 392.253 2.712 20 30 GFEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cccc(C#N)c1Br ZINC000451246564 564291522 /nfs/dbraw/zinc/29/15/22/564291522.db2.gz KEXRYURUZAFLDG-CYBMUJFWSA-N 1 1 392.297 2.646 20 30 GFEDMO C[C@@](CO)([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(Br)cc1 ZINC000511610170 564377554 /nfs/dbraw/zinc/37/75/54/564377554.db2.gz LAHPEYKBGMZFGM-INIZCTEOSA-N 1 1 394.294 2.818 20 30 GFEDMO N#Cc1ccc(OCC[NH2+]Cc2ncc(I)s2)cc1 ZINC000512068522 564390478 /nfs/dbraw/zinc/39/04/78/564390478.db2.gz SEMWMRKUFKCQJU-UHFFFAOYSA-N 1 1 385.230 2.788 20 30 GFEDMO N#CC1(CS(=O)(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000545207474 564413394 /nfs/dbraw/zinc/41/33/94/564413394.db2.gz GMAZLXDLZKNLHC-KRWDZBQOSA-N 1 1 381.929 2.918 20 30 GFEDMO N#CC1(CS(=O)(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC000545207474 564413395 /nfs/dbraw/zinc/41/33/95/564413395.db2.gz GMAZLXDLZKNLHC-KRWDZBQOSA-N 1 1 381.929 2.918 20 30 GFEDMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2cc(Br)c(C#N)cc2F)C1 ZINC000569258890 564456152 /nfs/dbraw/zinc/45/61/52/564456152.db2.gz MMGRZMXOVDDUJH-SECBINFHSA-N 1 1 397.277 2.549 20 30 GFEDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000480708613 564483216 /nfs/dbraw/zinc/48/32/16/564483216.db2.gz WZLFJXSYBMDCHH-CZUORRHYSA-N 1 1 394.313 2.684 20 30 GFEDMO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000483254694 564561938 /nfs/dbraw/zinc/56/19/38/564561938.db2.gz HFKPJPZAHZLDIR-SUMWQHHRSA-N 1 1 381.259 2.928 20 30 GFEDMO N#Cc1ccc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)nc1N ZINC000521369761 564625708 /nfs/dbraw/zinc/62/57/08/564625708.db2.gz DWIUSTCQZRWSBW-UHFFFAOYSA-N 1 1 386.297 2.796 20 30 GFEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2cccc(Br)c2C#N)CC1 ZINC000574008870 564664510 /nfs/dbraw/zinc/66/45/10/564664510.db2.gz MIEXCSKPBFLAGG-OAHLLOKOSA-N 1 1 377.330 2.927 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000458031677 564684969 /nfs/dbraw/zinc/68/49/69/564684969.db2.gz IZVDZGQNCNAOIC-CYBMUJFWSA-N 1 1 383.286 2.921 20 30 GFEDMO C[C@@H]1C[NH+](C[C@H](O)CSc2nc(C(F)(F)F)ccc2C#N)C[C@@H](C)O1 ZINC000488583922 564715276 /nfs/dbraw/zinc/71/52/76/564715276.db2.gz PTBXKXOUQLCGKM-WZRBSPASSA-N 1 1 375.416 2.534 20 30 GFEDMO C[C@H](C#N)CNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000577350243 564735265 /nfs/dbraw/zinc/73/52/65/564735265.db2.gz XREBSUISTGZITG-CYBMUJFWSA-N 1 1 379.302 2.872 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N1CC[NH+](CCOC)CC1 ZINC000459722217 564758660 /nfs/dbraw/zinc/75/86/60/564758660.db2.gz WIDCGVWUQDYVIK-UHFFFAOYSA-N 1 1 398.301 2.810 20 30 GFEDMO N#Cc1ccncc1N1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000560618858 564971033 /nfs/dbraw/zinc/97/10/33/564971033.db2.gz LFWUZIJUVDXIHO-UHFFFAOYSA-N 1 1 387.281 2.917 20 30 GFEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000537290094 565056253 /nfs/dbraw/zinc/05/62/53/565056253.db2.gz JAEVEFKQLBXBDH-UHFFFAOYSA-N 1 1 385.295 2.517 20 30 GFEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000537290094 565056255 /nfs/dbraw/zinc/05/62/55/565056255.db2.gz JAEVEFKQLBXBDH-UHFFFAOYSA-N 1 1 385.295 2.517 20 30 GFEDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000588910548 565143847 /nfs/dbraw/zinc/14/38/47/565143847.db2.gz VAQVTUSCWTWTAN-LBPRGKRZSA-N 1 1 388.331 2.719 20 30 GFEDMO C=CC[N@@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H](C)COC ZINC000661240898 565315819 /nfs/dbraw/zinc/31/58/19/565315819.db2.gz SQISXJCWADOUBM-WFASDCNBSA-N 1 1 376.266 2.851 20 30 GFEDMO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594485127 565394792 /nfs/dbraw/zinc/39/47/92/565394792.db2.gz WVLGEAUDYOYFRO-LSDHHAIUSA-N 1 1 398.326 2.616 20 30 GFEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000609538026 566042565 /nfs/dbraw/zinc/04/25/65/566042565.db2.gz JJVOOADWRGYJQW-RDJZCZTQSA-N 1 1 386.323 2.899 20 30 GFEDMO C=CC[N@H+](CCC(=O)N(C)c1ccccc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823904230 607489243 /nfs/dbraw/zinc/48/92/43/607489243.db2.gz XFJZLIWKESLQCI-UHFFFAOYSA-N 1 1 376.464 2.908 20 30 GFEDMO C=CC[N@H+](CCc1ccccc1)Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000823903634 607921135 /nfs/dbraw/zinc/92/11/35/607921135.db2.gz FQAPTFKKVIRTDU-UHFFFAOYSA-N 1 1 377.448 2.884 20 30 GFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823878446 608461331 /nfs/dbraw/zinc/46/13/31/608461331.db2.gz ZIUOPXJOYFFIET-MRXNPFEDSA-N 1 1 380.496 2.769 20 30 GFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823878446 608461332 /nfs/dbraw/zinc/46/13/32/608461332.db2.gz ZIUOPXJOYFFIET-MRXNPFEDSA-N 1 1 380.496 2.769 20 30 GFEDMO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000824762188 609140337 /nfs/dbraw/zinc/14/03/37/609140337.db2.gz FDVQEUNBBMNJDG-FOIQADDNSA-N 1 1 391.454 2.949 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(I)cc(C)c1C ZINC000818595613 660229418 /nfs/dbraw/zinc/22/94/18/660229418.db2.gz DXLBGCGYMOPRGG-UHFFFAOYSA-N 1 1 384.261 2.593 20 30 GFEDMO N#CCCC[C@H]([NH3+])c1nc(Cc2cc3c(cc2Br)OCO3)no1 ZINC000822947022 660358688 /nfs/dbraw/zinc/35/86/88/660358688.db2.gz MQTNORSBPHIKHZ-NSHDSACASA-N 1 1 379.214 2.845 20 30 GFEDMO C#C[C@@H](NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000836345726 660900824 /nfs/dbraw/zinc/90/08/24/660900824.db2.gz OKQDBDZWHKPWRA-CXAGYDPISA-N 1 1 376.298 2.907 20 30 GFEDMO COc1ccc([C@H]([NH2+]CC(=O)NCC#N)c2ccccc2)cc1Br ZINC000068826008 654968675 /nfs/dbraw/zinc/96/86/75/654968675.db2.gz WPQGWHAGEQKRPB-GOSISDBHSA-N 1 1 388.265 2.776 20 30 GFEDMO C=C(Br)CNC(=O)N[C@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000156737735 655095371 /nfs/dbraw/zinc/09/53/71/655095371.db2.gz SFTQSCTYJVVGOH-IAGOWNOFSA-N 1 1 396.329 2.874 20 30 GFEDMO C=C(Br)CNC(=O)N[C@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000156737735 655095373 /nfs/dbraw/zinc/09/53/73/655095373.db2.gz SFTQSCTYJVVGOH-IAGOWNOFSA-N 1 1 396.329 2.874 20 30 GFEDMO C=C(Br)CNC(=O)N[C@@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000156737594 655095405 /nfs/dbraw/zinc/09/54/05/655095405.db2.gz SFTQSCTYJVVGOH-DLBZAZTESA-N 1 1 396.329 2.874 20 30 GFEDMO C=C(Br)CNC(=O)N[C@@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000156737594 655095414 /nfs/dbraw/zinc/09/54/14/655095414.db2.gz SFTQSCTYJVVGOH-DLBZAZTESA-N 1 1 396.329 2.874 20 30 GFEDMO NC(=[NH+]OCc1nnc(-c2ccccc2Br)o1)C1CCOCC1 ZINC000112087346 655182026 /nfs/dbraw/zinc/18/20/26/655182026.db2.gz VBWGSKBIDSJGFX-UHFFFAOYSA-N 1 1 381.230 2.715 20 30 GFEDMO C[N@@H+](CC(=O)N1CSC[C@H]1C(=O)Nc1cccc(F)c1)[C@H]1CCSC1 ZINC000329143670 655387556 /nfs/dbraw/zinc/38/75/56/655387556.db2.gz VRTMIHMPZZLFSV-GJZGRUSLSA-N 1 1 383.514 2.753 20 30 GFEDMO N#Cc1ncn(CC[NH2+]Cc2csc(-c3cccc(Br)c3)n2)n1 ZINC000512899051 655418240 /nfs/dbraw/zinc/41/82/40/655418240.db2.gz NUKVYBITUGIOLV-UHFFFAOYSA-N 1 1 389.282 2.826 20 30 GFEDMO C[NH+]=C(NCc1ccc(Br)cc1C)N1CC[C@@H](N2CC=CC2)C1 ZINC000261862865 655442853 /nfs/dbraw/zinc/44/28/53/655442853.db2.gz YQKGQGUZCZFWKR-QGZVFWFLSA-N 1 1 377.330 2.779 20 30 GFEDMO C[N@H+]1CCC[C@@H](N2CCN(C(=S)Nc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000734308123 655629061 /nfs/dbraw/zinc/62/90/61/655629061.db2.gz DEFSHUKOBATMKK-MRXNPFEDSA-N 1 1 377.945 2.620 20 30 GFEDMO C=CCCC[N@@H+](C)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000736590047 655665060 /nfs/dbraw/zinc/66/50/60/655665060.db2.gz PAKASDNZHURCJJ-UHFFFAOYSA-N 1 1 380.242 2.600 20 30 GFEDMO C=CCCC[N@H+](C)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000736590047 655665063 /nfs/dbraw/zinc/66/50/63/655665063.db2.gz PAKASDNZHURCJJ-UHFFFAOYSA-N 1 1 380.242 2.600 20 30 GFEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1csc(Cl)c1Cl ZINC000761750259 656020626 /nfs/dbraw/zinc/02/06/26/656020626.db2.gz XQMOWCWAASHEOG-UHFFFAOYSA-N 1 1 381.354 2.575 20 30 GFEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000778237655 656871121 /nfs/dbraw/zinc/87/11/21/656871121.db2.gz XWBQEEPTESLZRM-NSHDSACASA-N 1 1 375.778 2.743 20 30 GFEDMO C=CCOc1c(Br)cc(C=NNC2=[NH+]C[C@H](C)N2)cc1OCC ZINC000779791732 656943086 /nfs/dbraw/zinc/94/30/86/656943086.db2.gz LAUMTULFRQQQPK-NSHDSACASA-N 1 1 381.274 2.684 20 30 GFEDMO C#CCn1ccc(C[N@H+](CC)C[C@H](O)COc2ccc(Br)cc2)n1 ZINC000789331935 657838134 /nfs/dbraw/zinc/83/81/34/657838134.db2.gz KZAHLTTVCISLTL-KRWDZBQOSA-N 1 1 392.297 2.541 20 30 GFEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H](O)COc2ccc(Br)cc2)n1 ZINC000789331935 657838142 /nfs/dbraw/zinc/83/81/42/657838142.db2.gz KZAHLTTVCISLTL-KRWDZBQOSA-N 1 1 392.297 2.541 20 30 GFEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@@H](O)c3cccc(Br)c3)C2)nc1 ZINC000794834356 658619744 /nfs/dbraw/zinc/61/97/44/658619744.db2.gz UTFLMMRLUNPAHH-IAGOWNOFSA-N 1 1 388.265 2.902 20 30 GFEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H](O)c3cccc(Br)c3)C2)nc1 ZINC000794834356 658619757 /nfs/dbraw/zinc/61/97/57/658619757.db2.gz UTFLMMRLUNPAHH-IAGOWNOFSA-N 1 1 388.265 2.902 20 30 GFEDMO Brc1ccc2c(c1)OCCCC2=NNCCC[NH+]1CCOCC1 ZINC000799489665 659193845 /nfs/dbraw/zinc/19/38/45/659193845.db2.gz YTMRRIJBJCMKAO-UHFFFAOYSA-N 1 1 382.302 2.638 20 30 GFEDMO C#CCOc1ccc(Br)cc1C[NH2+]Cc1cnn(CCOC)c1 ZINC000800287387 659298227 /nfs/dbraw/zinc/29/82/27/659298227.db2.gz IYAOPWROEYVXJS-UHFFFAOYSA-N 1 1 378.270 2.594 20 30 GFEDMO C#CC[N@@H+](CCN1CCO[C@H](C)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000800344412 659303153 /nfs/dbraw/zinc/30/31/53/659303153.db2.gz GSFGLQHMFAESIQ-QAPCUYQASA-N 1 1 393.325 2.929 20 30 GFEDMO C#CC[N@H+](CCN1CCO[C@H](C)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000800344412 659303159 /nfs/dbraw/zinc/30/31/59/659303159.db2.gz GSFGLQHMFAESIQ-QAPCUYQASA-N 1 1 393.325 2.929 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C ZINC000802076309 659442871 /nfs/dbraw/zinc/44/28/71/659442871.db2.gz YNTLJLXRRXVWJP-XJKSGUPXSA-N 1 1 382.913 2.797 20 30 GFEDMO C#CCN(C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000809946010 659952946 /nfs/dbraw/zinc/95/29/46/659952946.db2.gz KMIMKMLQARDPTK-WMZOPIPTSA-N 1 1 393.325 2.663 20 30 GFEDMO C=CCN1CC(=O)N(C2CC[NH+](Cc3cccc(Br)c3)CC2)C1=O ZINC000842265499 661330565 /nfs/dbraw/zinc/33/05/65/661330565.db2.gz SWYITIVQHUTDJY-UHFFFAOYSA-N 1 1 392.297 2.864 20 30 GFEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(I)cc2C)C1 ZINC000847023542 661573665 /nfs/dbraw/zinc/57/36/65/661573665.db2.gz DKZXEHDDKVSADM-ZDUSSCGKSA-N 1 1 382.245 2.883 20 30 GFEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(I)cc2C)C1 ZINC000847023542 661573678 /nfs/dbraw/zinc/57/36/78/661573678.db2.gz DKZXEHDDKVSADM-ZDUSSCGKSA-N 1 1 382.245 2.883 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856781650 662043935 /nfs/dbraw/zinc/04/39/35/662043935.db2.gz UZRMOCLFQYUTGT-BDAKNGLRSA-N 1 1 378.782 2.805 20 30 GFEDMO C#CCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000859369252 662157057 /nfs/dbraw/zinc/15/70/57/662157057.db2.gz YQKMNZDHHNHNPX-MRXNPFEDSA-N 1 1 388.265 2.940 20 30 GFEDMO C#C[C@H](NC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)c1ccc(Br)cc1 ZINC000868658142 662613866 /nfs/dbraw/zinc/61/38/66/662613866.db2.gz PJGQOJVCICSPHH-PVAVHDDUSA-N 1 1 376.298 2.859 20 30 GFEDMO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871056969 662714420 /nfs/dbraw/zinc/71/44/20/662714420.db2.gz PLQPWYMDPGHUFP-DOMZBBRYSA-N 1 1 391.317 2.752 20 30 GFEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000872793822 662788939 /nfs/dbraw/zinc/78/89/39/662788939.db2.gz CZZASRHSCAJRGQ-HUUCEWRRSA-N 1 1 377.535 2.638 20 30 GFEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000872793822 662788943 /nfs/dbraw/zinc/78/89/43/662788943.db2.gz CZZASRHSCAJRGQ-HUUCEWRRSA-N 1 1 377.535 2.638 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)Cc2ccc(Br)cc2C)CC1 ZINC000884999913 663082706 /nfs/dbraw/zinc/08/27/06/663082706.db2.gz GFQVRGTZDAHNOA-UHFFFAOYSA-N 1 1 387.343 2.827 20 30 GFEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885284701 663088324 /nfs/dbraw/zinc/08/83/24/663088324.db2.gz XQOFAEIYZBIIMC-IWSPIJDZSA-N 1 1 380.279 2.710 20 30 GFEDMO C[C@H]1C[C@@H](C(=O)Oc2ccc(C#N)cc2I)CC[N@H+]1C ZINC000890390524 663298985 /nfs/dbraw/zinc/29/89/85/663298985.db2.gz GRIMACXIUFWLSO-JQWIXIFHSA-N 1 1 384.217 2.799 20 30 GFEDMO N#Cc1ccc(Br)c(C[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000921989270 664580612 /nfs/dbraw/zinc/58/06/12/664580612.db2.gz ICCYIKAUCPXARO-SFHVURJKSA-N 1 1 399.292 2.997 20 30 GFEDMO C[C@](C#N)(NC(=O)C[NH2+][C@@H]1CCOc2ccc(Br)cc21)C1CC1 ZINC000932211890 664813911 /nfs/dbraw/zinc/81/39/11/664813911.db2.gz HWKJYDLJCSMFPW-RHSMWYFYSA-N 1 1 378.270 2.671 20 30 GFEDMO N#Cc1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(C#N)c1 ZINC001164695324 719889699 /nfs/dbraw/zinc/88/96/99/719889699.db2.gz NSUMEGIKZNKWRW-UHFFFAOYSA-N 1 1 379.489 2.758 20 30 GFEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(F)cc1C#N)C2 ZINC001164813132 720070984 /nfs/dbraw/zinc/07/09/84/720070984.db2.gz SQENKTDTJOAWKW-KXBFYZLASA-N 1 1 378.879 2.930 20 30 GFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(F)cc1C#N)CC2 ZINC001164711689 720102653 /nfs/dbraw/zinc/10/26/53/720102653.db2.gz SOBFWJRITXCTFQ-HXUWFJFHSA-N 1 1 395.482 2.995 20 30 GFEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)ncc3C#N)CC[C@@H]21 ZINC001164839993 720521168 /nfs/dbraw/zinc/52/11/68/720521168.db2.gz VMBAKPDVNKXQOF-XIRDDKMYSA-N 1 1 385.903 2.576 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(C5(C#N)CCC5)cn4)C[C@@H]3C2)cn1 ZINC001164762199 721131120 /nfs/dbraw/zinc/13/11/20/721131120.db2.gz CNYMDOZLUKUGPI-MOPGFXCFSA-N 1 1 376.508 2.719 20 30 GFEDMO CSc1nc(Cl)c(C#N)c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164779877 721388148 /nfs/dbraw/zinc/38/81/48/721388148.db2.gz CXIVGXUBIIUUOJ-GHMZBOCLSA-N 1 1 392.941 2.748 20 30 GFEDMO C=CCOc1cc(C)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164910277 721535955 /nfs/dbraw/zinc/53/59/55/721535955.db2.gz UBBSISOZSBDZKQ-HKUYNNGSSA-N 1 1 384.455 2.831 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)cc(C#N)n2)[C@H]2CCCO[C@H]12 ZINC001164806074 721547254 /nfs/dbraw/zinc/54/72/54/721547254.db2.gz NQVUPKIHHMZWGV-NSHGMRRFSA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2[nH]ccc3ncc(C#N)c2-3)[C@H]2CCCO[C@H]12 ZINC001164806335 721572235 /nfs/dbraw/zinc/57/22/35/721572235.db2.gz PVKHWBCEFOOYAG-ZVDOUQERSA-N 1 1 388.475 2.698 20 30 GFEDMO N#Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001164981782 722102807 /nfs/dbraw/zinc/10/28/07/722102807.db2.gz MJMMQWYZORIVIT-VQIMIIECSA-N 1 1 383.883 2.729 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000171537131 551657444 /nfs/dbraw/zinc/65/74/44/551657444.db2.gz BDCSQLUNLXSYDI-UHFFFAOYSA-N 1 1 377.279 2.517 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)/C=C/c2ccc(Br)cc2)CC1 ZINC000171536591 551657580 /nfs/dbraw/zinc/65/75/80/551657580.db2.gz NXVQSPHLEXAGDE-UKTHLTGXSA-N 1 1 385.327 2.990 20 30 GFEDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000246394045 553106913 /nfs/dbraw/zinc/10/69/13/553106913.db2.gz SQHKARFMLPQERV-GJZGRUSLSA-N 1 1 398.326 2.568 20 30 GFEDMO C[N@@H+]1CC[C@H](CNS(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248653081 553132777 /nfs/dbraw/zinc/13/27/77/553132777.db2.gz ULHZEUQADFRFQC-CZUORRHYSA-N 1 1 385.892 2.695 20 30 GFEDMO C[N@H+]1CC[C@H](CNS(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248653081 553132782 /nfs/dbraw/zinc/13/27/82/553132782.db2.gz ULHZEUQADFRFQC-CZUORRHYSA-N 1 1 385.892 2.695 20 30 GFEDMO N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000329231281 563475806 /nfs/dbraw/zinc/47/58/06/563475806.db2.gz KNUSFCSUYBHYDZ-CYBMUJFWSA-N 1 1 398.326 2.616 20 30 GFEDMO N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000329231281 563475807 /nfs/dbraw/zinc/47/58/07/563475807.db2.gz KNUSFCSUYBHYDZ-CYBMUJFWSA-N 1 1 398.326 2.616 20 30 GFEDMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1ccc(Cl)s1 ZINC000329251104 563476685 /nfs/dbraw/zinc/47/66/85/563476685.db2.gz XXCYATNRIAAPMB-CQSZACIVSA-N 1 1 385.917 2.571 20 30 GFEDMO CC(C)[C@H](CNC(=O)Nc1ncc(C(F)(F)F)s1)N1CC[NH+](C)CC1 ZINC000331206127 563540023 /nfs/dbraw/zinc/54/00/23/563540023.db2.gz ZKGCJPMAJQETFM-NSHDSACASA-N 1 1 379.452 2.760 20 30 GFEDMO N#Cc1cc(Br)cnc1NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000450347039 564228841 /nfs/dbraw/zinc/22/88/41/564228841.db2.gz INAZQLDDDQAONA-SFHVURJKSA-N 1 1 387.281 2.765 20 30 GFEDMO N#CC1(NC(=O)C[NH2+][C@@H](CCO)c2ccccc2Br)CCCCC1 ZINC000542878798 564329836 /nfs/dbraw/zinc/32/98/36/564329836.db2.gz KJNJCTLUKOVEAM-INIZCTEOSA-N 1 1 394.313 2.805 20 30 GFEDMO C[N@@H+](CC(=O)NC1(C#N)CCC1)CC1(c2ccc(Br)cc2)CC1 ZINC000526135792 564721918 /nfs/dbraw/zinc/72/19/18/564721918.db2.gz XNJCAFDGEKGECG-UHFFFAOYSA-N 1 1 376.298 2.975 20 30 GFEDMO C[N@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000577204025 564728750 /nfs/dbraw/zinc/72/87/50/564728750.db2.gz NNADYYWWQIXJSX-IBGZPJMESA-N 1 1 391.357 2.923 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000560029983 564945620 /nfs/dbraw/zinc/94/56/20/564945620.db2.gz XSDXRZYMYHZOFE-GJZGRUSLSA-N 1 1 381.929 2.659 20 30 GFEDMO COc1ccc(Br)cc1C1([NH2+]CC(=O)NC2(C#N)CCC2)CC1 ZINC000592137828 565260310 /nfs/dbraw/zinc/26/03/10/565260310.db2.gz QRTLJGYBCKQWON-UHFFFAOYSA-N 1 1 378.270 2.599 20 30 GFEDMO C[NH+]1CCC(C#N)(NC(=O)c2cc(Br)ccc2OC(F)F)CC1 ZINC000592612816 565285345 /nfs/dbraw/zinc/28/53/45/565285345.db2.gz WXVJKKOAKCWRAK-UHFFFAOYSA-N 1 1 388.212 2.768 20 30 GFEDMO C=CC[N@@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H](C)COC ZINC000661240896 565316477 /nfs/dbraw/zinc/31/64/77/565316477.db2.gz SQISXJCWADOUBM-IUODEOHRSA-N 1 1 376.266 2.851 20 30 GFEDMO C[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594104220 565376575 /nfs/dbraw/zinc/37/65/75/565376575.db2.gz YQFQEMNCWULNJJ-UPJWGTAASA-N 1 1 395.301 2.940 20 30 GFEDMO C[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594104220 565376579 /nfs/dbraw/zinc/37/65/79/565376579.db2.gz YQFQEMNCWULNJJ-UPJWGTAASA-N 1 1 395.301 2.940 20 30 GFEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccsc2C#N)C1 ZINC000594849158 565429262 /nfs/dbraw/zinc/42/92/62/565429262.db2.gz JQHGQYYGBNTYEB-MRXNPFEDSA-N 1 1 375.519 2.557 20 30 GFEDMO COCC[N@@H+](C)CCOc1cccc(CNc2nc(C#N)c(Cl)s2)c1 ZINC000596110585 565514524 /nfs/dbraw/zinc/51/45/24/565514524.db2.gz PWMDGSDDGKEVMJ-UHFFFAOYSA-N 1 1 380.901 2.659 20 30 GFEDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000597678995 565569356 /nfs/dbraw/zinc/56/93/56/565569356.db2.gz WVYOWWMZZAKKKT-ZDUSSCGKSA-N 1 1 392.297 2.646 20 30 GFEDMO N#Cc1ccc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c(Br)c1 ZINC000603424498 565905130 /nfs/dbraw/zinc/90/51/30/565905130.db2.gz YSNHRNULJYQLBG-MRXNPFEDSA-N 1 1 393.329 2.529 20 30 GFEDMO N#Cc1ccc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(Br)c1 ZINC000603424498 565905134 /nfs/dbraw/zinc/90/51/34/565905134.db2.gz YSNHRNULJYQLBG-MRXNPFEDSA-N 1 1 393.329 2.529 20 30 GFEDMO CC(C)[C@@H](C#N)N1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000609538251 566042701 /nfs/dbraw/zinc/04/27/01/566042701.db2.gz PGWYVMVNVKYCFR-QGZVFWFLSA-N 1 1 393.329 2.943 20 30 GFEDMO CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821165396 607363527 /nfs/dbraw/zinc/36/35/27/607363527.db2.gz QXUUFCZLJMFWIA-CYBMUJFWSA-N 1 1 393.451 2.970 20 30 GFEDMO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821165396 607363529 /nfs/dbraw/zinc/36/35/29/607363529.db2.gz QXUUFCZLJMFWIA-CYBMUJFWSA-N 1 1 393.451 2.970 20 30 GFEDMO CC1(C)CN(Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820601044 606087182 /nfs/dbraw/zinc/08/71/82/606087182.db2.gz AKCFZOXFEXDJFI-UHFFFAOYSA-N 1 1 387.491 2.835 20 30 GFEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2)CCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820601044 606087187 /nfs/dbraw/zinc/08/71/87/606087187.db2.gz AKCFZOXFEXDJFI-UHFFFAOYSA-N 1 1 387.491 2.835 20 30 GFEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820601044 606087192 /nfs/dbraw/zinc/08/71/92/606087192.db2.gz AKCFZOXFEXDJFI-UHFFFAOYSA-N 1 1 387.491 2.835 20 30 GFEDMO Cc1[nH+]ccn1-c1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000822477192 606340076 /nfs/dbraw/zinc/34/00/76/606340076.db2.gz JDMHVZYRKWVSMQ-BQYQJAHWSA-N 1 1 396.414 2.905 20 30 GFEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CC[N@H+](CCOC)C2)s1 ZINC000819252183 660252140 /nfs/dbraw/zinc/25/21/40/660252140.db2.gz OVCGUWMTVKLTBF-ZDUSSCGKSA-N 1 1 389.974 2.676 20 30 GFEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)s1 ZINC000819404544 660258288 /nfs/dbraw/zinc/25/82/88/660258288.db2.gz LHANUDXQCSEPIC-WCQYABFASA-N 1 1 389.974 2.674 20 30 GFEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)s1 ZINC000819404544 660258289 /nfs/dbraw/zinc/25/82/89/660258289.db2.gz LHANUDXQCSEPIC-WCQYABFASA-N 1 1 389.974 2.674 20 30 GFEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2c(Br)ccc(OCC)c2F)C1 ZINC000829582376 660601456 /nfs/dbraw/zinc/60/14/56/660601456.db2.gz LFUOIFWBFPRCLX-LBPRGKRZSA-N 1 1 383.261 2.814 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(Br)ccc(OCC)c2F)C1 ZINC000829582376 660601459 /nfs/dbraw/zinc/60/14/59/660601459.db2.gz LFUOIFWBFPRCLX-LBPRGKRZSA-N 1 1 383.261 2.814 20 30 GFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000125464770 654795478 /nfs/dbraw/zinc/79/54/78/654795478.db2.gz QVFBKXJHDCHUCD-UHFFFAOYSA-N 1 1 381.267 2.673 20 30 GFEDMO CC(C)C(N)=[NH+]O[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000128632735 654849341 /nfs/dbraw/zinc/84/93/41/654849341.db2.gz TYGZQTSGMDVYBQ-VIFPVBQESA-N 1 1 375.210 2.563 20 30 GFEDMO Cn1cc[nH+]c1CC1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000119715868 655312343 /nfs/dbraw/zinc/31/23/43/655312343.db2.gz BBBCJBHFAVLZQV-UHFFFAOYSA-N 1 1 378.885 2.589 20 30 GFEDMO N#Cc1ccnc(N2CC[NH+](C[C@@H](O)c3ccc(Br)cc3)CC2)c1 ZINC000264088605 655457219 /nfs/dbraw/zinc/45/72/19/655457219.db2.gz AXJYLZYKZASOJK-QGZVFWFLSA-N 1 1 387.281 2.571 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cccc(C)c1I ZINC000729811687 655568854 /nfs/dbraw/zinc/56/88/54/655568854.db2.gz AELAILXGKNVXJI-ZDUSSCGKSA-N 1 1 383.229 2.854 20 30 GFEDMO COc1cc(Br)c(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1OC ZINC000753932979 655861101 /nfs/dbraw/zinc/86/11/01/655861101.db2.gz ADKZXBIGBHBHOO-BETUJISGSA-N 1 1 381.274 2.660 20 30 GFEDMO O=S(=O)(CCc1ccccc1)NN=C1CC[NH+](CCC(F)(F)F)CC1 ZINC000779775361 656941859 /nfs/dbraw/zinc/94/18/59/656941859.db2.gz ZOUXMWOERZUMKL-UHFFFAOYSA-N 1 1 377.432 2.553 20 30 GFEDMO C#CC[N@@H+](C)CCCNc1ncnc2cccc(I)c21 ZINC000814930088 660098551 /nfs/dbraw/zinc/09/85/51/660098551.db2.gz TZUBYHKVFBLVDJ-UHFFFAOYSA-N 1 1 380.233 2.601 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(Cl)c1SC(C)C ZINC000815861337 660133164 /nfs/dbraw/zinc/13/31/64/660133164.db2.gz CSMGJGHFEGGPBU-UHFFFAOYSA-N 1 1 381.929 2.850 20 30 GFEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC000848923608 661689067 /nfs/dbraw/zinc/68/90/67/661689067.db2.gz GZPDIQGYAIJRCJ-KGLIPLIRSA-N 1 1 379.298 2.808 20 30 GFEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC000848923608 661689073 /nfs/dbraw/zinc/68/90/73/661689073.db2.gz GZPDIQGYAIJRCJ-KGLIPLIRSA-N 1 1 379.298 2.808 20 30 GFEDMO O=S(=O)(CC[NH2+]Cc1cccc(F)c1OCC(F)(F)F)CC(F)(F)F ZINC000858188425 662104125 /nfs/dbraw/zinc/10/41/25/662104125.db2.gz DLIAFAVYZAVSAI-UHFFFAOYSA-N 1 1 397.312 2.834 20 30 GFEDMO CC(N=Nc1cc(Br)ncn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000872435791 662766102 /nfs/dbraw/zinc/76/61/02/662766102.db2.gz HAZYLZJZQIFHMD-OAHLLOKOSA-N 1 1 390.285 2.928 20 30 GFEDMO CC(N=Nc1cc(Br)ncn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000872435791 662766105 /nfs/dbraw/zinc/76/61/05/662766105.db2.gz HAZYLZJZQIFHMD-OAHLLOKOSA-N 1 1 390.285 2.928 20 30 GFEDMO C[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000876950649 662868658 /nfs/dbraw/zinc/86/86/58/662868658.db2.gz RMCHFKRRAYIXHT-GFCCVEGCSA-N 1 1 378.885 2.708 20 30 GFEDMO COC(=O)C1(C#N)CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000878675955 662902241 /nfs/dbraw/zinc/90/22/41/662902241.db2.gz MUQUWCMSFOQSAF-CQSZACIVSA-N 1 1 387.263 2.512 20 30 GFEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885286503 663088456 /nfs/dbraw/zinc/08/84/56/663088456.db2.gz FTHKMUAUFWFHSC-DTORHVGOSA-N 1 1 382.295 2.956 20 30 GFEDMO N#Cc1cc(CS(=O)(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000915089574 664420895 /nfs/dbraw/zinc/42/08/95/664420895.db2.gz DPSNAPNVVZBDRC-MRXNPFEDSA-N 1 1 375.519 2.561 20 30 GFEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000923567682 664634083 /nfs/dbraw/zinc/63/40/83/664634083.db2.gz BVJDQQGCCIVQNR-LBPRGKRZSA-N 1 1 388.265 2.530 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000923567682 664634085 /nfs/dbraw/zinc/63/40/85/664634085.db2.gz BVJDQQGCCIVQNR-LBPRGKRZSA-N 1 1 388.265 2.530 20 30 GFEDMO N#Cc1ccc(NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)cc1Br ZINC000931381129 664793296 /nfs/dbraw/zinc/79/32/96/664793296.db2.gz WBNYOFHIWBWLCD-OAHLLOKOSA-N 1 1 393.285 2.696 20 30 GFEDMO C[C@H]1C[C@H](NC(=O)Nc2ccc(C#N)cc2I)CC[N@H+]1C ZINC000932557409 664828673 /nfs/dbraw/zinc/82/86/73/664828673.db2.gz KRCKRXDRJGBDQF-CMPLNLGQSA-N 1 1 398.248 2.767 20 30 GFEDMO O=C1OCCN1CC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932939947 664843222 /nfs/dbraw/zinc/84/32/22/664843222.db2.gz LFCRHNRDHQNJBK-HTQZYQBOSA-N 1 1 382.251 2.541 20 30 GFEDMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932942727 664843884 /nfs/dbraw/zinc/84/38/84/664843884.db2.gz IMLCHNQDTLITLI-HRDYMLBCSA-N 1 1 380.279 2.710 20 30 GFEDMO C=C(Br)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000997231057 665034846 /nfs/dbraw/zinc/03/48/46/665034846.db2.gz CHDHLPYDYZCFES-KFTDAMQQSA-N 1 1 383.330 2.535 20 30 GFEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(F)cc1C#N)C2 ZINC001164813126 720070876 /nfs/dbraw/zinc/07/08/76/720070876.db2.gz SQENKTDTJOAWKW-BEFAXECRSA-N 1 1 378.879 2.930 20 30 GFEDMO C=CCOc1cc(C)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164837988 720548322 /nfs/dbraw/zinc/54/83/22/720548322.db2.gz NCXSPEAJCUXMNU-HSALFYBXSA-N 1 1 396.539 2.924 20 30 GFEDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)c(Cl)c(C)c3C#N)CC[C@H]2C1 ZINC001164857773 720842310 /nfs/dbraw/zinc/84/23/10/720842310.db2.gz YPGWMMNNWJWYAT-ZFWWWQNUSA-N 1 1 399.322 2.742 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5c(cc4C#N)CCCC5)C[C@H]3C2)cn1 ZINC001164763298 721197139 /nfs/dbraw/zinc/19/71/39/721197139.db2.gz FGRICAZYZUJFET-AZUAARDMSA-N 1 1 376.508 2.524 20 30 GFEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[NH+](C[C@H]4CCCO4)CC3)nn2)cc1 ZINC001165037909 721902027 /nfs/dbraw/zinc/90/20/27/721902027.db2.gz NRVXTBQYRDTOKC-UXHICEINSA-N 1 1 377.492 2.742 20 30 GFEDMO N#Cc1cc2c(nc1N1CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C1)CCC2 ZINC001164981610 722140823 /nfs/dbraw/zinc/14/08/23/722140823.db2.gz PQFCDTHAYWZCOA-DENIHFKCSA-N 1 1 389.503 2.564 20 30 GFEDMO C[C@@H]([NH2+][C@H](C)c1cc2c(cc1Br)OCCO2)C(=O)N(C)CCC#N ZINC000180476672 552227610 /nfs/dbraw/zinc/22/76/10/552227610.db2.gz NHEULRJVOWQPOL-VXGBXAGGSA-N 1 1 396.285 2.631 20 30 GFEDMO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000181440277 552257036 /nfs/dbraw/zinc/25/70/36/552257036.db2.gz RFZYBHBASDEYDI-DOTOQJQBSA-N 1 1 392.297 2.585 20 30 GFEDMO CN(C(=O)C[NH2+][C@H](CO)c1cccc(Br)c1)C1(C#N)CCCCC1 ZINC000183906944 552321890 /nfs/dbraw/zinc/32/18/90/552321890.db2.gz KMABUEGVCWSSHR-MRXNPFEDSA-N 1 1 394.313 2.757 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(F)cc1 ZINC000186371254 552386606 /nfs/dbraw/zinc/38/66/06/552386606.db2.gz XKFDUYUOZGTUBX-MRXNPFEDSA-N 1 1 381.860 2.932 20 30 GFEDMO COC(=O)C1=NOC2(C1)CC[NH+](Cc1cc(C#N)ccc1Br)CC2 ZINC000191824014 552539384 /nfs/dbraw/zinc/53/93/84/552539384.db2.gz KIQGBTYHCYSJTH-UHFFFAOYSA-N 1 1 392.253 2.605 20 30 GFEDMO C[C@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000373020980 563325834 /nfs/dbraw/zinc/32/58/34/563325834.db2.gz DKPGLWSPTHZWCS-CYBMUJFWSA-N 1 1 376.507 2.519 20 30 GFEDMO Cn1cncc1CC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000298345220 563351779 /nfs/dbraw/zinc/35/17/79/563351779.db2.gz JLYYIXUWCXNCJE-SFHVURJKSA-N 1 1 388.313 2.608 20 30 GFEDMO Cc1ccc2c(ncc(C#N)c2NC[C@H]2C[N@H+](C)CCN2C)c1Br ZINC000280825636 563355870 /nfs/dbraw/zinc/35/58/70/563355870.db2.gz YOWDZXZINBMHIO-AWEZNQCLSA-N 1 1 388.313 2.835 20 30 GFEDMO C=CC[NH+]1CCC(N[C@H](CC)c2ccc(Cl)c(S(=O)(=O)NC)c2)CC1 ZINC000280952663 563362450 /nfs/dbraw/zinc/36/24/50/563362450.db2.gz UDKRESZGKMYTIN-QGZVFWFLSA-N 1 1 385.961 2.939 20 30 GFEDMO C[C@H](C[S@](C)=O)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000299029859 563373155 /nfs/dbraw/zinc/37/31/55/563373155.db2.gz RKBFLFFUJZMXPC-DSGZJRDPSA-N 1 1 381.567 2.772 20 30 GFEDMO C=CCn1cc(C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)nn1 ZINC000424298880 563375965 /nfs/dbraw/zinc/37/59/65/563375965.db2.gz UHLHAJPYJHWIEZ-GFCCVEGCSA-N 1 1 378.274 2.734 20 30 GFEDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282761456 563423500 /nfs/dbraw/zinc/42/35/00/563423500.db2.gz VJXINFONVRGXNT-ABAIWWIYSA-N 1 1 375.416 2.538 20 30 GFEDMO CC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000328871862 563467200 /nfs/dbraw/zinc/46/72/00/563467200.db2.gz DPHGLPOGEMGFHM-CYBMUJFWSA-N 1 1 396.285 2.615 20 30 GFEDMO C[C@H](CNC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)C[NH+]1CCOCC1 ZINC000329693831 563485590 /nfs/dbraw/zinc/48/55/90/563485590.db2.gz FGBODDYXLMVJDO-RISCZKNCSA-N 1 1 388.295 2.899 20 30 GFEDMO Cc1c(Br)ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1F ZINC000330586905 563511543 /nfs/dbraw/zinc/51/15/43/563511543.db2.gz WZLGHGXVKNCEAL-MNOVXSKESA-N 1 1 388.281 2.829 20 30 GFEDMO Cc1c(Br)ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1F ZINC000330586905 563511546 /nfs/dbraw/zinc/51/15/46/563511546.db2.gz WZLGHGXVKNCEAL-MNOVXSKESA-N 1 1 388.281 2.829 20 30 GFEDMO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1C ZINC000410399833 563589757 /nfs/dbraw/zinc/58/97/57/563589757.db2.gz QNPJFQOAHXWHGM-OAHLLOKOSA-N 1 1 375.416 2.538 20 30 GFEDMO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000410399833 563589762 /nfs/dbraw/zinc/58/97/62/563589762.db2.gz QNPJFQOAHXWHGM-OAHLLOKOSA-N 1 1 375.416 2.538 20 30 GFEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)COc2cccc(Br)c2C#N)C1 ZINC000333568355 563636048 /nfs/dbraw/zinc/63/60/48/563636048.db2.gz PHWLDDLALUHXQE-CJNGLKHVSA-N 1 1 392.297 2.642 20 30 GFEDMO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435161552 563643751 /nfs/dbraw/zinc/64/37/51/563643751.db2.gz DNVBPEZNHUOOHZ-LBPRGKRZSA-N 1 1 375.416 2.730 20 30 GFEDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000289789716 563686743 /nfs/dbraw/zinc/68/67/43/563686743.db2.gz IORQTVRLYNFWCI-ZDUSSCGKSA-N 1 1 375.416 2.682 20 30 GFEDMO [NH3+]CC(F)(F)CNC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000415539597 563784063 /nfs/dbraw/zinc/78/40/63/563784063.db2.gz KEXYXITUEWUBHQ-SECBINFHSA-N 1 1 377.260 2.785 20 30 GFEDMO C[C@H]1C[C@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)CC[N@H+]1C ZINC000449926613 564209848 /nfs/dbraw/zinc/20/98/48/564209848.db2.gz MNXXCNQWGOVSLW-GXTWGEPZSA-N 1 1 380.286 2.641 20 30 GFEDMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@H]1C ZINC000449926964 564209913 /nfs/dbraw/zinc/20/99/13/564209913.db2.gz NIAYPAJJLLGFNU-CYBMUJFWSA-N 1 1 380.286 2.504 20 30 GFEDMO CCOCC[N@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@H]1C ZINC000449926964 564209914 /nfs/dbraw/zinc/20/99/14/564209914.db2.gz NIAYPAJJLLGFNU-CYBMUJFWSA-N 1 1 380.286 2.504 20 30 GFEDMO N#Cc1cc(Br)cnc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000450229746 564222651 /nfs/dbraw/zinc/22/26/51/564222651.db2.gz XWKXZZXGVBLETO-UHFFFAOYSA-N 1 1 387.281 2.582 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000566641002 564336530 /nfs/dbraw/zinc/33/65/30/564336530.db2.gz IPBNTSDYVHNCES-SFHVURJKSA-N 1 1 377.897 2.934 20 30 GFEDMO CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000510683701 564343954 /nfs/dbraw/zinc/34/39/54/564343954.db2.gz QQCZYVHTHWMFBC-UHFFFAOYSA-N 1 1 381.885 2.947 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000571464772 564552937 /nfs/dbraw/zinc/55/29/37/564552937.db2.gz IJESINYDIGOPMD-QGZVFWFLSA-N 1 1 381.860 2.932 20 30 GFEDMO N#CC1(NC(=O)C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)CCC1 ZINC000571958779 564574774 /nfs/dbraw/zinc/57/47/74/564574774.db2.gz UKBAHLGEXPMNQB-OAHLLOKOSA-N 1 1 376.298 2.876 20 30 GFEDMO C[NH+]1CCC(C#N)(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CC1 ZINC000520991079 564617203 /nfs/dbraw/zinc/61/72/03/564617203.db2.gz DSJQZFWIYUKYQT-UHFFFAOYSA-N 1 1 378.263 2.897 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)c1ccc(Cl)c(Cl)c1 ZINC000528545769 564793582 /nfs/dbraw/zinc/79/35/82/564793582.db2.gz HLEGRHIEJJACOG-MRXNPFEDSA-N 1 1 399.303 2.841 20 30 GFEDMO N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000528551618 564793985 /nfs/dbraw/zinc/79/39/85/564793985.db2.gz OAZDKLUAGMSZQU-HNNXBMFYSA-N 1 1 398.326 2.616 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 ZINC000581565962 564808134 /nfs/dbraw/zinc/80/81/34/564808134.db2.gz PAEDYMWMIYKLEK-QGZVFWFLSA-N 1 1 381.860 2.932 20 30 GFEDMO C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000462149676 564823827 /nfs/dbraw/zinc/82/38/27/564823827.db2.gz RFWRYEYKRQNFCM-INIZCTEOSA-N 1 1 375.881 2.893 20 30 GFEDMO N#Cc1cnc2c(Br)cccc2c1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000582639103 564855784 /nfs/dbraw/zinc/85/57/84/564855784.db2.gz SJVANKGIGMXZLW-UHFFFAOYSA-N 1 1 383.253 2.919 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000559759259 564939654 /nfs/dbraw/zinc/93/96/54/564939654.db2.gz OYBJMXKQJFPAJS-CQSZACIVSA-N 1 1 383.945 2.764 20 30 GFEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000584701569 565092316 /nfs/dbraw/zinc/09/23/16/565092316.db2.gz ZPVNRTVLFFGDNE-INIZCTEOSA-N 1 1 381.929 2.758 20 30 GFEDMO N#Cc1ccc(OCC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1Br ZINC000590666576 565195339 /nfs/dbraw/zinc/19/53/39/565195339.db2.gz UUWKYHQZTRICCW-AWEZNQCLSA-N 1 1 392.297 2.833 20 30 GFEDMO C=CC[N@@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@H](C)COC ZINC000661240895 565316156 /nfs/dbraw/zinc/31/61/56/565316156.db2.gz SQISXJCWADOUBM-DOMZBBRYSA-N 1 1 376.266 2.851 20 30 GFEDMO N#Cc1cc(Br)ccc1CC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000593420070 565330257 /nfs/dbraw/zinc/33/02/57/565330257.db2.gz AZFNZQVTOPSCSG-UHFFFAOYSA-N 1 1 384.277 2.995 20 30 GFEDMO N#Cc1sccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000593536292 565339268 /nfs/dbraw/zinc/33/92/68/565339268.db2.gz PYXZRBNMIQLKMI-INIZCTEOSA-N 1 1 375.519 2.810 20 30 GFEDMO C[C@H]1CCN(S(=O)(=O)c2ccsc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000593552324 565340510 /nfs/dbraw/zinc/34/05/10/565340510.db2.gz FFFLPJCHABHINN-HNNXBMFYSA-N 1 1 375.519 2.905 20 30 GFEDMO C[C@H]1CCN(S(=O)(=O)c2ccsc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000593552324 565340514 /nfs/dbraw/zinc/34/05/14/565340514.db2.gz FFFLPJCHABHINN-HNNXBMFYSA-N 1 1 375.519 2.905 20 30 GFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccsc1C#N ZINC000593562027 565341648 /nfs/dbraw/zinc/34/16/48/565341648.db2.gz QZPDXCQNJCYBKC-GOEBONIOSA-N 1 1 375.519 2.809 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(CC#N)c1)c1ccc(Cl)cc1 ZINC000619488676 565344517 /nfs/dbraw/zinc/34/45/17/565344517.db2.gz SVNPCGDNNIFWSD-GOSISDBHSA-N 1 1 377.897 2.987 20 30 GFEDMO C[NH+]1CCC(C#N)(NC(=O)c2cc(-c3ccc(Br)cc3)no2)CC1 ZINC000597166215 565554591 /nfs/dbraw/zinc/55/45/91/565554591.db2.gz PAZYYUFHBVCGHF-UHFFFAOYSA-N 1 1 389.253 2.822 20 30 GFEDMO COc1ccc(Br)c([C@H](CO)[N@H+](C)C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598620252 565630203 /nfs/dbraw/zinc/63/02/03/565630203.db2.gz KXQDEJRRWWIGCH-LRDDRELGSA-N 1 1 385.302 2.724 20 30 GFEDMO COc1ccc(Br)c([C@H](CO)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598620252 565630208 /nfs/dbraw/zinc/63/02/08/565630208.db2.gz KXQDEJRRWWIGCH-LRDDRELGSA-N 1 1 385.302 2.724 20 30 GFEDMO Cn1cc(Br)cc1C[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599311122 565669024 /nfs/dbraw/zinc/66/90/24/565669024.db2.gz GUWKGRZUVVNHIA-MRXNPFEDSA-N 1 1 378.270 2.531 20 30 GFEDMO COC(=O)CC[N@@H+](Cc1ccc(C#N)cc1Br)C[C@H]1CCCO1 ZINC000611500856 566133570 /nfs/dbraw/zinc/13/35/70/566133570.db2.gz IYLUFBGGWBSGAI-OAHLLOKOSA-N 1 1 381.270 2.865 20 30 GFEDMO COC(=O)CC[N@H+](Cc1ccc(C#N)cc1Br)C[C@H]1CCCO1 ZINC000611500856 566133576 /nfs/dbraw/zinc/13/35/76/566133576.db2.gz IYLUFBGGWBSGAI-OAHLLOKOSA-N 1 1 381.270 2.865 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000656985038 566200581 /nfs/dbraw/zinc/20/05/81/566200581.db2.gz LTHOPPDNQPUGBE-MLGOLLRUSA-N 1 1 398.301 2.855 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000656985038 566200584 /nfs/dbraw/zinc/20/05/84/566200584.db2.gz LTHOPPDNQPUGBE-MLGOLLRUSA-N 1 1 398.301 2.855 20 30 GFEDMO CC[N@H+](CCC#N)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000821207434 606081144 /nfs/dbraw/zinc/08/11/44/606081144.db2.gz MSSQOHPCZVTBHP-UHFFFAOYSA-N 1 1 387.513 2.761 20 30 GFEDMO CC[N@@H+](CCC#N)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000821207434 606081149 /nfs/dbraw/zinc/08/11/49/606081149.db2.gz MSSQOHPCZVTBHP-UHFFFAOYSA-N 1 1 387.513 2.761 20 30 GFEDMO C[C@H](C#N)C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)C1CC1 ZINC000824034091 607831306 /nfs/dbraw/zinc/83/13/06/607831306.db2.gz GYOLAXIOTASPDB-GFCCVEGCSA-N 1 1 399.524 2.760 20 30 GFEDMO C[C@H](C#N)C[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)C1CC1 ZINC000824034091 607831307 /nfs/dbraw/zinc/83/13/07/607831307.db2.gz GYOLAXIOTASPDB-GFCCVEGCSA-N 1 1 399.524 2.760 20 30 GFEDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1C ZINC000266232253 654864970 /nfs/dbraw/zinc/86/49/70/654864970.db2.gz UQWWGZSTBNBGPI-AAEUAGOBSA-N 1 1 375.416 2.680 20 30 GFEDMO C=C(Br)CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000069244240 654978015 /nfs/dbraw/zinc/97/80/15/654978015.db2.gz KONOHWQYVSKYBU-UHFFFAOYSA-N 1 1 377.286 2.684 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+](C)C[C@H](C)C(=O)NC)cc1OC ZINC000093899209 655021972 /nfs/dbraw/zinc/02/19/72/655021972.db2.gz MPTUXDFVQMRELN-LBPRGKRZSA-N 1 1 385.302 2.836 20 30 GFEDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000111353317 655170503 /nfs/dbraw/zinc/17/05/03/655170503.db2.gz SADIEKMTNPTONR-CYBMUJFWSA-N 1 1 375.416 2.730 20 30 GFEDMO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)CS(=O)(=O)CC ZINC000113000133 655201119 /nfs/dbraw/zinc/20/11/19/655201119.db2.gz KYNAIWXLRLXZCV-CYBMUJFWSA-N 1 1 385.917 2.685 20 30 GFEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)CS(=O)(=O)CC ZINC000113000133 655201121 /nfs/dbraw/zinc/20/11/21/655201121.db2.gz KYNAIWXLRLXZCV-CYBMUJFWSA-N 1 1 385.917 2.685 20 30 GFEDMO C[C@]([NH2+]CCC(=O)Nc1sccc1C#N)(C(N)=O)c1cccc(Cl)c1 ZINC000177412421 655275919 /nfs/dbraw/zinc/27/59/19/655275919.db2.gz POXXMSCIYVEEEW-QGZVFWFLSA-N 1 1 376.869 2.592 20 30 GFEDMO C=CCOc1ccc(C[N@@H+](CCCOC)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000120117991 655328266 /nfs/dbraw/zinc/32/82/66/655328266.db2.gz NHVHTRPAWXPJSI-INIZCTEOSA-N 1 1 387.929 2.930 20 30 GFEDMO C=CCOc1ccc(C[N@H+](CCCOC)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000120117991 655328268 /nfs/dbraw/zinc/32/82/68/655328268.db2.gz NHVHTRPAWXPJSI-INIZCTEOSA-N 1 1 387.929 2.930 20 30 GFEDMO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000121715606 655350746 /nfs/dbraw/zinc/35/07/46/655350746.db2.gz UEELPWGUUHLFIE-NSHDSACASA-N 1 1 379.450 2.635 20 30 GFEDMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000577444718 655459594 /nfs/dbraw/zinc/45/95/94/655459594.db2.gz IBAFTNVCGKCECO-LBPRGKRZSA-N 1 1 388.331 2.719 20 30 GFEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(Br)c1C#N ZINC000577933661 655469541 /nfs/dbraw/zinc/46/95/41/655469541.db2.gz WBMOTLZTRFFPOZ-KGLIPLIRSA-N 1 1 392.297 2.785 20 30 GFEDMO S=C(NCCC[NH+]1CCOCC1)NN=C1CCCc2c(Cl)cccc21 ZINC000758080242 655922605 /nfs/dbraw/zinc/92/26/05/655922605.db2.gz RJGLNWXPMBXRBU-UHFFFAOYSA-N 1 1 380.945 2.567 20 30 GFEDMO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)CC)ccc2Cl)CC1 ZINC000840951692 661217685 /nfs/dbraw/zinc/21/76/85/661217685.db2.gz GSESNRGMAMNOSB-UHFFFAOYSA-N 1 1 382.913 2.699 20 30 GFEDMO CC(CCc1ccc(Cl)s1)=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000764665096 656116289 /nfs/dbraw/zinc/11/62/89/656116289.db2.gz IAHIKXKEPCOGMR-UHFFFAOYSA-N 1 1 388.990 2.896 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000772648838 656384926 /nfs/dbraw/zinc/38/49/26/656384926.db2.gz FLKKPLOBPHBATK-IRXDYDNUSA-N 1 1 395.272 2.586 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000772648838 656384929 /nfs/dbraw/zinc/38/49/29/656384929.db2.gz FLKKPLOBPHBATK-IRXDYDNUSA-N 1 1 395.272 2.586 20 30 GFEDMO C#CCC[NH+]1CCN(C(=O)C2(c3cc(Br)ccc3OC)CC2)CC1 ZINC000841386929 661257433 /nfs/dbraw/zinc/25/74/33/661257433.db2.gz PPVTYNBSLBRIAT-UHFFFAOYSA-N 1 1 391.309 2.657 20 30 GFEDMO C#CCNC(=O)CC[N@H+](Cc1cc(Br)ccc1OCC)C1CC1 ZINC000815037516 660105738 /nfs/dbraw/zinc/10/57/38/660105738.db2.gz NHPVARKPDRDDRV-UHFFFAOYSA-N 1 1 379.298 2.952 20 30 GFEDMO Brc1cc(Br)c2c(c1)C(=NNC1=[NH+]CCN1)CCC2 ZINC000841659022 661307496 /nfs/dbraw/zinc/30/74/96/661307496.db2.gz HJAFSHNUNVEGMA-UHFFFAOYSA-N 1 1 386.091 2.801 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000854662979 661946504 /nfs/dbraw/zinc/94/65/04/661946504.db2.gz ROCBCEOBOHVEKT-UHFFFAOYSA-N 1 1 381.167 2.690 20 30 GFEDMO COC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000879662106 662934872 /nfs/dbraw/zinc/93/48/72/662934872.db2.gz QNKXJSDKPPEXGO-WBVHZDCISA-N 1 1 380.286 2.535 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883115640 663049763 /nfs/dbraw/zinc/04/97/63/663049763.db2.gz CTGCDUVKTMCGEY-NSHDSACASA-N 1 1 380.290 2.958 20 30 GFEDMO C=CCC[C@H]([NH2+]Cc1nn(C)cc1I)[C@@H]1CCCO1 ZINC000883226907 663051599 /nfs/dbraw/zinc/05/15/99/663051599.db2.gz HQEICLHYRTUMOM-JSGCOSHPSA-N 1 1 375.254 2.628 20 30 GFEDMO C=CCOc1c(Br)cc(C=NN2CC[NH+](C)CC2)cc1OCC ZINC000916249281 664455037 /nfs/dbraw/zinc/45/50/37/664455037.db2.gz ZGOAQBKKPCIXLA-UHFFFAOYSA-N 1 1 382.302 2.994 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000918514305 664500283 /nfs/dbraw/zinc/50/02/83/664500283.db2.gz XNHNHLXHDKNBHK-CQSZACIVSA-N 1 1 377.432 2.777 20 30 GFEDMO N#Cc1ccc(Br)c(C[NH2+]Cc2ccc(N3CCOCC3)nc2)c1 ZINC000921520797 664551773 /nfs/dbraw/zinc/55/17/73/664551773.db2.gz NFEUIEAVHOCSME-UHFFFAOYSA-N 1 1 387.281 2.842 20 30 GFEDMO C[C@@](C#N)(NC(=O)C[NH2+][C@H]1CCOc2ccc(Br)cc21)C1CC1 ZINC000932207141 664813379 /nfs/dbraw/zinc/81/33/79/664813379.db2.gz HWKJYDLJCSMFPW-YOEHRIQHSA-N 1 1 378.270 2.671 20 30 GFEDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(C#N)cc2I)C1 ZINC000932557591 664828609 /nfs/dbraw/zinc/82/86/09/664828609.db2.gz QSVFHJHPJRWPNH-LBPRGKRZSA-N 1 1 398.248 2.626 20 30 GFEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)c(C#N)cc1C#N)C2 ZINC001164816529 720114380 /nfs/dbraw/zinc/11/43/80/720114380.db2.gz ZXAULUQAGXQTDD-FXAWDEMLSA-N 1 1 385.899 2.663 20 30 GFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(F)c1C#N)CC2 ZINC001164716279 720125131 /nfs/dbraw/zinc/12/51/31/720125131.db2.gz KEJCZLNAQWFCQY-SFHVURJKSA-N 1 1 395.482 2.995 20 30 GFEDMO N#Cc1cc(Cl)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740608 720841201 /nfs/dbraw/zinc/84/12/01/720841201.db2.gz DCQVQSUOJJGJDO-BHIYHBOVSA-N 1 1 397.914 2.578 20 30 GFEDMO COCC[N@H+]1CCO[C@H]2CN(c3nc4c(cc3C#N)CCCC4(C)C)CC[C@@H]2C1 ZINC001164853004 720890294 /nfs/dbraw/zinc/89/02/94/720890294.db2.gz BJMMBJTZLAJXAE-QUCCMNQESA-N 1 1 398.551 2.741 20 30 GFEDMO CC(C)c1ccc(C#N)c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164892865 721387755 /nfs/dbraw/zinc/38/77/55/721387755.db2.gz UBXRIINOZZYVPE-NFBKMPQASA-N 1 1 397.567 2.842 20 30 GFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C#N)c(C)n1)CC2 ZINC001164783565 721463242 /nfs/dbraw/zinc/46/32/42/721463242.db2.gz DMICUARVOUDESW-OAQYLSRUSA-N 1 1 398.551 2.996 20 30 GFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164799921 721531107 /nfs/dbraw/zinc/53/11/07/721531107.db2.gz CCRZNMDWNGAKFN-IPMKNSEASA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164799921 721531110 /nfs/dbraw/zinc/53/11/10/721531110.db2.gz CCRZNMDWNGAKFN-IPMKNSEASA-N 1 1 383.883 2.870 20 30 GFEDMO Cc1nc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1C#N ZINC001164808743 721556531 /nfs/dbraw/zinc/55/65/31/721556531.db2.gz VNSZVZAQTGUHOE-OKZBNKHCSA-N 1 1 398.898 2.573 20 30 GFEDMO Cc1nc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1C#N ZINC001164808743 721556535 /nfs/dbraw/zinc/55/65/35/721556535.db2.gz VNSZVZAQTGUHOE-OKZBNKHCSA-N 1 1 398.898 2.573 20 30 GFEDMO N#Cc1cc(F)cnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961943 722053602 /nfs/dbraw/zinc/05/36/02/722053602.db2.gz ZNFBZFNUZPECBY-UHFFFAOYSA-N 1 1 381.455 2.606 20 30 GFEDMO N#Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164981776 722102973 /nfs/dbraw/zinc/10/29/73/722102973.db2.gz MJMMQWYZORIVIT-LPHOPBHVSA-N 1 1 383.883 2.729 20 30 GFEDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccccc2C#N)[C@@H]1c1cccs1 ZINC000121954148 551293254 /nfs/dbraw/zinc/29/32/54/551293254.db2.gz FPCKKYYSIUTRNM-MAUKXSAKSA-N 1 1 375.519 2.981 20 30 GFEDMO N#CCSCCC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000173876013 552095282 /nfs/dbraw/zinc/09/52/82/552095282.db2.gz GJRPAYCGDMNHTC-UHFFFAOYSA-N 1 1 393.987 2.745 20 30 GFEDMO N#CCSCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000173876013 552095283 /nfs/dbraw/zinc/09/52/83/552095283.db2.gz GJRPAYCGDMNHTC-UHFFFAOYSA-N 1 1 393.987 2.745 20 30 GFEDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000177667152 552156285 /nfs/dbraw/zinc/15/62/85/552156285.db2.gz MBRYMGTUEYPVIM-GFCCVEGCSA-N 1 1 375.416 2.539 20 30 GFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c(Br)c1 ZINC000181107989 552246883 /nfs/dbraw/zinc/24/68/83/552246883.db2.gz BIDBTICCHXPWNS-MRXNPFEDSA-N 1 1 378.314 2.865 20 30 GFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c(Br)c1 ZINC000181107989 552246885 /nfs/dbraw/zinc/24/68/85/552246885.db2.gz BIDBTICCHXPWNS-MRXNPFEDSA-N 1 1 378.314 2.865 20 30 GFEDMO C=CCNC(=O)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000181128846 552247560 /nfs/dbraw/zinc/24/75/60/552247560.db2.gz KOTIKNGMPCYHAL-UHFFFAOYSA-N 1 1 390.281 2.815 20 30 GFEDMO C[C@H](C[S@](C)=O)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000185119514 552354557 /nfs/dbraw/zinc/35/45/57/552354557.db2.gz UBQCBJCACAXHBE-SHZVTRLKSA-N 1 1 381.567 2.916 20 30 GFEDMO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H](O)c1cccc(Br)c1 ZINC000298054044 563343621 /nfs/dbraw/zinc/34/36/21/563343621.db2.gz FQIWSXFSPVFYGN-MRXNPFEDSA-N 1 1 394.313 2.757 20 30 GFEDMO C[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H](O)c1cccc(Br)c1 ZINC000298054044 563343623 /nfs/dbraw/zinc/34/36/23/563343623.db2.gz FQIWSXFSPVFYGN-MRXNPFEDSA-N 1 1 394.313 2.757 20 30 GFEDMO C[N@@H+](CCCC1(C#N)CCOCC1)CC(=O)Nc1ccc(Br)cn1 ZINC000282023963 563394288 /nfs/dbraw/zinc/39/42/88/563394288.db2.gz PKVWLYHJMAYPRV-UHFFFAOYSA-N 1 1 395.301 2.815 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000310781949 563435198 /nfs/dbraw/zinc/43/51/98/563435198.db2.gz PAAMPBRDKGBLIN-MRXNPFEDSA-N 1 1 375.881 2.764 20 30 GFEDMO C[N@H+]1CC[C@H](CNS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000377389582 563472777 /nfs/dbraw/zinc/47/27/77/563472777.db2.gz NCTXWMBTYCOBIW-SJLPKXTDSA-N 1 1 375.519 2.732 20 30 GFEDMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000330404787 563504005 /nfs/dbraw/zinc/50/40/05/563504005.db2.gz VVKGTNINZHXCLK-CYBMUJFWSA-N 1 1 375.416 2.682 20 30 GFEDMO Cc1c(Br)ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1F ZINC000330586906 563511681 /nfs/dbraw/zinc/51/16/81/563511681.db2.gz WZLGHGXVKNCEAL-QWRGUYRKSA-N 1 1 388.281 2.829 20 30 GFEDMO Cc1c(Br)ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1F ZINC000330586906 563511684 /nfs/dbraw/zinc/51/16/84/563511684.db2.gz WZLGHGXVKNCEAL-QWRGUYRKSA-N 1 1 388.281 2.829 20 30 GFEDMO C[C@@H](NS(=O)(=O)c1ccc(C#N)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386616570 563519087 /nfs/dbraw/zinc/51/90/87/563519087.db2.gz NHQSTUHVKQFUMB-GDBMZVCRSA-N 1 1 375.519 2.809 20 30 GFEDMO CC(C)[C@H]1CN(C(=O)CNC(=O)c2cccc(Br)c2)CC[N@H+]1C ZINC000331147383 563537074 /nfs/dbraw/zinc/53/70/74/563537074.db2.gz NVVBADHCBOBPNE-OAHLLOKOSA-N 1 1 382.302 2.552 20 30 GFEDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408007818 563541369 /nfs/dbraw/zinc/54/13/69/563541369.db2.gz JLKMGXVNAKLVLH-STQMWFEESA-N 1 1 398.326 2.568 20 30 GFEDMO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1C ZINC000410399832 563589579 /nfs/dbraw/zinc/58/95/79/563589579.db2.gz QNPJFQOAHXWHGM-HNNXBMFYSA-N 1 1 375.416 2.538 20 30 GFEDMO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000410399832 563589583 /nfs/dbraw/zinc/58/95/83/563589583.db2.gz QNPJFQOAHXWHGM-HNNXBMFYSA-N 1 1 375.416 2.538 20 30 GFEDMO C=C[C@](C)(O)CC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412968759 563677307 /nfs/dbraw/zinc/67/73/07/563677307.db2.gz HXRPVAQVWVJDQR-SFHVURJKSA-N 1 1 381.314 2.857 20 30 GFEDMO C[N@H+](CCC#N)C[C@@H](O)Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000414114097 563719365 /nfs/dbraw/zinc/71/93/65/563719365.db2.gz ABAIOXLWMRSMHA-CQSZACIVSA-N 1 1 381.249 2.658 20 30 GFEDMO C[N@@H+](CCC#N)C[C@@H](O)Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000414114097 563719367 /nfs/dbraw/zinc/71/93/67/563719367.db2.gz ABAIOXLWMRSMHA-CQSZACIVSA-N 1 1 381.249 2.658 20 30 GFEDMO CN(Cc1cc(C#N)ccc1Br)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365191622 563776880 /nfs/dbraw/zinc/77/68/80/563776880.db2.gz MYGMOAVAYZYQGG-GOSISDBHSA-N 1 1 391.357 2.921 20 30 GFEDMO Cn1cc(Br)c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000292702613 563793703 /nfs/dbraw/zinc/79/37/03/563793703.db2.gz SOVFWRFEWICFDM-UHFFFAOYSA-N 1 1 388.313 2.762 20 30 GFEDMO CC(C)C[C@H](CNC(=O)c1ccc(Br)cc1C#N)[NH+]1CCOCC1 ZINC000448632463 563899206 /nfs/dbraw/zinc/89/92/06/563899206.db2.gz JZCATWMGRXZYEI-MRXNPFEDSA-N 1 1 394.313 2.797 20 30 GFEDMO C[NH+](C)[C@H](CNC(=O)COc1ccc(C#N)c(Br)c1)c1ccco1 ZINC000449059485 563906427 /nfs/dbraw/zinc/90/64/27/563906427.db2.gz AVZVMLGEMCHHLK-OAHLLOKOSA-N 1 1 392.253 2.712 20 30 GFEDMO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000508827669 564274191 /nfs/dbraw/zinc/27/41/91/564274191.db2.gz MXRFILSZWQUEGG-HNNXBMFYSA-N 1 1 393.333 2.998 20 30 GFEDMO N#CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c(Cl)c1 ZINC000451274790 564294291 /nfs/dbraw/zinc/29/42/91/564294291.db2.gz XSCXAXNIZGGAQU-MRXNPFEDSA-N 1 1 381.929 2.949 20 30 GFEDMO C[C@](CO)([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(Br)cc1 ZINC000511610171 564377694 /nfs/dbraw/zinc/37/76/94/564377694.db2.gz LAHPEYKBGMZFGM-MRXNPFEDSA-N 1 1 394.294 2.818 20 30 GFEDMO CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000452104642 564393094 /nfs/dbraw/zinc/39/30/94/564393094.db2.gz MKCSRBHQRBLSQW-CYBMUJFWSA-N 1 1 375.416 2.680 20 30 GFEDMO COCC[NH+]1CCN(c2c(C#N)cnc3c(Br)c(C)ccc32)CC1 ZINC000479915815 564454158 /nfs/dbraw/zinc/45/41/58/564454158.db2.gz SDFCOKJFUHTIDW-UHFFFAOYSA-N 1 1 389.297 2.946 20 30 GFEDMO C[N@@H+]1CCO[C@H](CSCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000571283353 564544721 /nfs/dbraw/zinc/54/47/21/564544721.db2.gz KRUWNDBAUJETRE-ZDUSSCGKSA-N 1 1 379.551 2.891 20 30 GFEDMO C[N@H+]1CCO[C@H](CSCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000571283353 564544729 /nfs/dbraw/zinc/54/47/29/564544729.db2.gz KRUWNDBAUJETRE-ZDUSSCGKSA-N 1 1 379.551 2.891 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCN(C)C2=O)cc1OC ZINC000552285885 564684751 /nfs/dbraw/zinc/68/47/51/564684751.db2.gz FYEHXYYKOCJVKB-AWEZNQCLSA-N 1 1 383.286 2.685 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CCN(C)C2=O)cc1OC ZINC000552285885 564684755 /nfs/dbraw/zinc/68/47/55/564684755.db2.gz FYEHXYYKOCJVKB-AWEZNQCLSA-N 1 1 383.286 2.685 20 30 GFEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000491903596 564796521 /nfs/dbraw/zinc/79/65/21/564796521.db2.gz WHOIOZDMQCZKCE-INIZCTEOSA-N 1 1 385.277 2.824 20 30 GFEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000491903596 564796522 /nfs/dbraw/zinc/79/65/22/564796522.db2.gz WHOIOZDMQCZKCE-INIZCTEOSA-N 1 1 385.277 2.824 20 30 GFEDMO C=CCC[N@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000531727064 564919135 /nfs/dbraw/zinc/91/91/35/564919135.db2.gz PKNVJGJAKSTPCX-UHFFFAOYSA-N 1 1 379.345 2.783 20 30 GFEDMO C=CCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000531727064 564919138 /nfs/dbraw/zinc/91/91/38/564919138.db2.gz PKNVJGJAKSTPCX-UHFFFAOYSA-N 1 1 379.345 2.783 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000532585905 564940700 /nfs/dbraw/zinc/94/07/00/564940700.db2.gz RLRUKTZONIMOIU-CYBMUJFWSA-N 1 1 394.313 2.813 20 30 GFEDMO C=CCC[C@H](O)C[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000469996915 565034742 /nfs/dbraw/zinc/03/47/42/565034742.db2.gz STMFZTWLERPZAH-HNNXBMFYSA-N 1 1 387.307 2.844 20 30 GFEDMO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000613841099 565082594 /nfs/dbraw/zinc/08/25/94/565082594.db2.gz BWUPESMDSQRQJR-INIZCTEOSA-N 1 1 382.302 2.920 20 30 GFEDMO CN(C(=O)Cc1ccc(Br)cc1C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000593153905 565316723 /nfs/dbraw/zinc/31/67/23/565316723.db2.gz ZTYFKLQQHDBEQG-SJPCQFCGSA-N 1 1 376.298 2.947 20 30 GFEDMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)CCCCC#N)CC1 ZINC000594046384 565373267 /nfs/dbraw/zinc/37/32/67/565373267.db2.gz REWSLIYWIXFFCC-UHFFFAOYSA-N 1 1 380.290 2.618 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000594763329 565416825 /nfs/dbraw/zinc/41/68/25/565416825.db2.gz OGYUMQXXYHNANZ-RISCZKNCSA-N 1 1 375.519 2.985 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000594763329 565416828 /nfs/dbraw/zinc/41/68/28/565416828.db2.gz OGYUMQXXYHNANZ-RISCZKNCSA-N 1 1 375.519 2.985 20 30 GFEDMO N#Cc1cc(Br)cnc1N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000596514101 565526023 /nfs/dbraw/zinc/52/60/23/565526023.db2.gz HZPIYMLPNAYFKR-HUUCEWRRSA-N 1 1 377.286 2.771 20 30 GFEDMO CCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000598040242 565589284 /nfs/dbraw/zinc/58/92/84/565589284.db2.gz NXMQLUYVLJIXGT-AWEZNQCLSA-N 1 1 380.286 2.642 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000599542265 565687871 /nfs/dbraw/zinc/68/78/71/565687871.db2.gz RVEXIINBOAUUDQ-IUCAKERBSA-N 1 1 390.228 2.778 20 30 GFEDMO N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600471010 565731595 /nfs/dbraw/zinc/73/15/95/565731595.db2.gz QRHDKFNURMNQJU-QGZVFWFLSA-N 1 1 376.298 2.996 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671106791 565751502 /nfs/dbraw/zinc/75/15/02/565751502.db2.gz JIOHUXPZDLSYTO-KBPBESRZSA-N 1 1 381.929 2.659 20 30 GFEDMO N#Cc1cc(Br)ccc1N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603422351 565904726 /nfs/dbraw/zinc/90/47/26/565904726.db2.gz GPXUQFPQUJDGGO-KRWDZBQOSA-N 1 1 393.329 2.529 20 30 GFEDMO C=CC[N@H+](CCc1ccco1)Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1 ZINC000823909351 609426666 /nfs/dbraw/zinc/42/66/66/609426666.db2.gz AEQJOLJXMZLHMK-UHFFFAOYSA-N 1 1 390.451 2.715 20 30 GFEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CC[N@H+](CCOC)C2)s1 ZINC000819252181 660252089 /nfs/dbraw/zinc/25/20/89/660252089.db2.gz OVCGUWMTVKLTBF-CYBMUJFWSA-N 1 1 389.974 2.676 20 30 GFEDMO Cc1[nH+]ccn1CCOC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000829447436 660592167 /nfs/dbraw/zinc/59/21/67/660592167.db2.gz JQPCYYZOQFPQQS-UHFFFAOYSA-N 1 1 389.253 2.505 20 30 GFEDMO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccccc1I ZINC000272906921 655124862 /nfs/dbraw/zinc/12/48/62/655124862.db2.gz VZSRUYHFMATIHY-NSHDSACASA-N 1 1 379.263 2.543 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C)c(Br)s2)CC1 ZINC000176906234 655260218 /nfs/dbraw/zinc/26/02/18/655260218.db2.gz XOVDNZXPQFMANJ-UHFFFAOYSA-N 1 1 379.345 2.748 20 30 GFEDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000119060410 655288206 /nfs/dbraw/zinc/28/82/06/655288206.db2.gz LDKFBMYLWCTEDO-UHFFFAOYSA-N 1 1 397.298 2.537 20 30 GFEDMO CN(C)c1nc(N2CCN(c3ccc(C#N)cc3Br)CC2)cc[nH+]1 ZINC000119367654 655301030 /nfs/dbraw/zinc/30/10/30/655301030.db2.gz XSVLBLYNLNUUEQ-UHFFFAOYSA-N 1 1 387.285 2.503 20 30 GFEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@@](=O)C1 ZINC000277282320 655311033 /nfs/dbraw/zinc/31/10/33/655311033.db2.gz BFDZPHPVSKEMDR-YMXBGEKHSA-N 1 1 379.551 2.528 20 30 GFEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@@](=O)C1 ZINC000277282320 655311035 /nfs/dbraw/zinc/31/10/35/655311035.db2.gz BFDZPHPVSKEMDR-YMXBGEKHSA-N 1 1 379.551 2.528 20 30 GFEDMO C[N@@H+](CC(=O)N1CSC[C@H]1C(=O)Nc1cccc(F)c1)[C@@H]1CCSC1 ZINC000329143666 655387470 /nfs/dbraw/zinc/38/74/70/655387470.db2.gz VRTMIHMPZZLFSV-CABCVRRESA-N 1 1 383.514 2.753 20 30 GFEDMO COc1cc(Br)c(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1OC ZINC000753932980 655861063 /nfs/dbraw/zinc/86/10/63/655861063.db2.gz ADKZXBIGBHBHOO-CHWSQXEVSA-N 1 1 381.274 2.660 20 30 GFEDMO CCOc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cc(Br)c1O ZINC000753937403 655861197 /nfs/dbraw/zinc/86/11/97/655861197.db2.gz DIGKJYJZCFXKPU-CHWSQXEVSA-N 1 1 381.274 2.747 20 30 GFEDMO N#Cc1cccc(N2CC[NH+](C[C@H](O)c3ccc(Br)cc3)CC2)n1 ZINC000760911874 655994532 /nfs/dbraw/zinc/99/45/32/655994532.db2.gz SFOTYOXIKMPGNE-KRWDZBQOSA-N 1 1 387.281 2.571 20 30 GFEDMO Cc1ccc(C)c(S(=O)(=O)NN=C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000779758483 656940577 /nfs/dbraw/zinc/94/05/77/656940577.db2.gz TXLYTMKDLNQWHX-UHFFFAOYSA-N 1 1 377.432 2.986 20 30 GFEDMO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]NCc1cccc(Cl)c1Cl ZINC000790180659 657934067 /nfs/dbraw/zinc/93/40/67/657934067.db2.gz JNQCVTFOXQQYSH-UHFFFAOYSA-N 1 1 382.295 2.996 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1c(C)nc2ccc(Br)cn21 ZINC000796690583 658931203 /nfs/dbraw/zinc/93/12/03/658931203.db2.gz UZFJDUNXQQEKFA-CQSZACIVSA-N 1 1 376.254 2.660 20 30 GFEDMO Brc1ccc2c(c1)C(=NNCCC[NH+]1CCOCC1)CCCO2 ZINC000799491577 659194493 /nfs/dbraw/zinc/19/44/93/659194493.db2.gz JJZDIEZZWLWNKZ-UHFFFAOYSA-N 1 1 382.302 2.638 20 30 GFEDMO COc1ccc(N2CC[NH+](CCNc3nc(Cl)c(C#N)s3)CC2)cc1 ZINC000804388507 659642231 /nfs/dbraw/zinc/64/22/31/659642231.db2.gz WYPOGBQDABYJJC-UHFFFAOYSA-N 1 1 377.901 2.911 20 30 GFEDMO C#CCNC(=O)CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000815064025 660108694 /nfs/dbraw/zinc/10/86/94/660108694.db2.gz KRWZXZIUOHOCNL-MRXNPFEDSA-N 1 1 382.291 2.926 20 30 GFEDMO C=C(Br)CNC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000841745130 661311850 /nfs/dbraw/zinc/31/18/50/661311850.db2.gz USZVLJWCXVVFFB-UHFFFAOYSA-N 1 1 396.333 2.674 20 30 GFEDMO C#CC1CC[NH+](Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)CC1 ZINC000843426960 661381130 /nfs/dbraw/zinc/38/11/30/661381130.db2.gz OSBFGLANLQGIRZ-CYBMUJFWSA-N 1 1 379.298 2.808 20 30 GFEDMO C#CCN(C[C@@H](O)C[N@H+](C)CC)[C@H]1CCOc2ccc(Br)cc21 ZINC000846804808 661566306 /nfs/dbraw/zinc/56/63/06/661566306.db2.gz PMJHFVNSRUAMBN-RDJZCZTQSA-N 1 1 381.314 2.521 20 30 GFEDMO Cn1nccc1[C@@H](O)C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000856796881 662044390 /nfs/dbraw/zinc/04/43/90/662044390.db2.gz VUDIOMNVAFAUGI-SFHVURJKSA-N 1 1 389.297 3.000 20 30 GFEDMO C#CCC1(O)CC[NH+](Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000880481032 662960725 /nfs/dbraw/zinc/96/07/25/662960725.db2.gz LKELOOIYUBHNDF-UHFFFAOYSA-N 1 1 380.282 2.961 20 30 GFEDMO N#Cc1cnc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(Br)c1 ZINC000882172168 663019478 /nfs/dbraw/zinc/01/94/78/663019478.db2.gz VLWIDEHDOYJKRI-INIZCTEOSA-N 1 1 387.281 2.894 20 30 GFEDMO N#Cc1nc(NC(=O)NCc2c[nH+]c3n2CCCC3)ccc1Br ZINC000883108148 663049471 /nfs/dbraw/zinc/04/94/71/663049471.db2.gz WLTBMCHXDPXHTQ-UHFFFAOYSA-N 1 1 375.230 2.570 20 30 GFEDMO O=c1oc2cc(Br)ccc2n1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902600247 663764307 /nfs/dbraw/zinc/76/43/07/663764307.db2.gz UETNBWOEVWUVNW-UHFFFAOYSA-N 1 1 393.237 2.652 20 30 GFEDMO COc1cc(NC(=O)CC[NH2+]Cc2nc(C#N)cs2)c(OC)cc1Cl ZINC000905655795 663884176 /nfs/dbraw/zinc/88/41/76/663884176.db2.gz QQKYKFROZLFYJE-UHFFFAOYSA-N 1 1 380.857 2.804 20 30 GFEDMO CSc1ccc(CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc1C#N ZINC000924039956 664645075 /nfs/dbraw/zinc/64/50/75/664645075.db2.gz FRTWALDLXRRNHL-CVEARBPZSA-N 1 1 376.551 2.659 20 30 GFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C#N)cn1)CC2 ZINC001164710366 720093078 /nfs/dbraw/zinc/09/30/78/720093078.db2.gz JGWKVOHBSPXRSC-FQEVSTJZSA-N 1 1 377.492 2.856 20 30 GFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C#N)nc(C)n1)CC2 ZINC001164716195 720156655 /nfs/dbraw/zinc/15/66/55/720156655.db2.gz YUEIICQILKZLFY-HXUWFJFHSA-N 1 1 392.507 2.559 20 30 GFEDMO Cc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(C#N)n1 ZINC001164840520 720696571 /nfs/dbraw/zinc/69/65/71/720696571.db2.gz FTXCGAHJCSAAOI-IBGZPJMESA-N 1 1 377.492 2.917 20 30 GFEDMO Cc1cc(C#N)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1C ZINC001164743268 720823611 /nfs/dbraw/zinc/82/36/11/720823611.db2.gz RTAQSZOGAIIDGF-PWRODBHTSA-N 1 1 391.523 2.541 20 30 GFEDMO C=CCOc1cc(C)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164806675 721556729 /nfs/dbraw/zinc/55/67/29/721556729.db2.gz QQOAFVMSDYGXIL-SVFBPWRDSA-N 1 1 395.507 2.613 20 30 GFEDMO C=CCOc1cc(C)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164806675 721556730 /nfs/dbraw/zinc/55/67/30/721556730.db2.gz QQOAFVMSDYGXIL-SVFBPWRDSA-N 1 1 395.507 2.613 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3[nH]c(C#N)cc3n2)[C@H]2CCCO[C@@H]12 ZINC001164809875 721574236 /nfs/dbraw/zinc/57/42/36/721574236.db2.gz XSLZVFOXEZZNRP-TUNNFDKTSA-N 1 1 388.475 2.698 20 30 GFEDMO Cc1ccc(CC#N)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164811984 721581478 /nfs/dbraw/zinc/58/14/78/721581478.db2.gz ZGAOQRNGBUJXCE-QHAWAJNXSA-N 1 1 377.492 2.719 20 30 GFEDMO COc1nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)ncc1C#N ZINC001164939328 721924033 /nfs/dbraw/zinc/92/40/33/721924033.db2.gz IPHJTTNHNOGOLW-UHFFFAOYSA-N 1 1 393.491 2.537 20 30 GFEDMO CCN(CCC#N)c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165048892 721987216 /nfs/dbraw/zinc/98/72/16/721987216.db2.gz PVZQOVLAFSOWLB-MRXNPFEDSA-N 1 1 387.528 2.620 20 30 GFEDMO CCN(CCC#N)c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165048892 721987220 /nfs/dbraw/zinc/98/72/20/721987220.db2.gz PVZQOVLAFSOWLB-MRXNPFEDSA-N 1 1 387.528 2.620 20 30 GFEDMO N#Cc1ccc([N+](=O)[O-])c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164951467 722016957 /nfs/dbraw/zinc/01/69/57/722016957.db2.gz AKYQLAOKXXEDBK-UHFFFAOYSA-N 1 1 378.436 2.749 20 30 GFEDMO N#Cc1cc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164985217 722098734 /nfs/dbraw/zinc/09/87/34/722098734.db2.gz VPAKCSLSLMXSJT-ROUUACIJSA-N 1 1 383.883 2.729 20 30 GFEDMO N#Cc1cnc2cc[nH]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c1-2 ZINC001164983348 722135874 /nfs/dbraw/zinc/13/58/74/722135874.db2.gz UNHMSIBMRQNQNQ-PXNSSMCTSA-N 1 1 388.475 2.557 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccc(F)cc1 ZINC000055277832 551172102 /nfs/dbraw/zinc/17/21/02/551172102.db2.gz KTQCASSBGAVTFC-QGZVFWFLSA-N 1 1 381.860 2.932 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000180185612 552216981 /nfs/dbraw/zinc/21/69/81/552216981.db2.gz MABKRHTZRJWVEY-PBHICJAKSA-N 1 1 379.913 2.849 20 30 GFEDMO C[C@H](C[S@@](C)=O)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000185119552 552354600 /nfs/dbraw/zinc/35/46/00/552354600.db2.gz UBQCBJCACAXHBE-YMXBGEKHSA-N 1 1 381.567 2.916 20 30 GFEDMO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(C#N)ccc2Br)CC1 ZINC000191785183 552538086 /nfs/dbraw/zinc/53/80/86/552538086.db2.gz OSSNIDAQIYMGEA-CQSZACIVSA-N 1 1 380.330 2.845 20 30 GFEDMO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cc(C#N)ccc2Br)CC1 ZINC000191785183 552538088 /nfs/dbraw/zinc/53/80/88/552538088.db2.gz OSSNIDAQIYMGEA-CQSZACIVSA-N 1 1 380.330 2.845 20 30 GFEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(N3CCCNC3=O)CC2)c1 ZINC000191815058 552539094 /nfs/dbraw/zinc/53/90/94/552539094.db2.gz UNFGDVOHTTYXQK-UHFFFAOYSA-N 1 1 377.286 2.700 20 30 GFEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261803233 553159631 /nfs/dbraw/zinc/15/96/31/553159631.db2.gz OFUFGEHPCSVWRF-QGZVFWFLSA-N 1 1 375.881 2.855 20 30 GFEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(Br)cc1C#N ZINC000296386989 563285988 /nfs/dbraw/zinc/28/59/88/563285988.db2.gz UBVISRCBKUDWCS-CYBMUJFWSA-N 1 1 392.297 2.646 20 30 GFEDMO C=CCN1CCC([NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000280260180 563328854 /nfs/dbraw/zinc/32/88/54/563328854.db2.gz XDXYXBSXTUCPOF-LLVKDONJSA-N 1 1 392.352 2.942 20 30 GFEDMO C=CCC[C@H](O)C[N@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC000425517648 563426552 /nfs/dbraw/zinc/42/65/52/563426552.db2.gz LMPLPSTUSXKIHO-YESZJQIVSA-N 1 1 382.298 2.965 20 30 GFEDMO C[C@H](C(=O)NC1CCC(C(=O)N2CCSCC2)CC1)[NH+]1CCSCC1 ZINC000328995067 563470027 /nfs/dbraw/zinc/47/00/27/563470027.db2.gz UHAOATSSJTZMKL-QQFBHYJXSA-N 1 1 385.599 2.514 20 30 GFEDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000329962476 563492646 /nfs/dbraw/zinc/49/26/46/563492646.db2.gz PGLODLMUTOOFSH-HUUCEWRRSA-N 1 1 395.301 2.771 20 30 GFEDMO COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000330577378 563511891 /nfs/dbraw/zinc/51/18/91/563511891.db2.gz RNFGFXHFKBYNSS-MNOVXSKESA-N 1 1 376.284 2.934 20 30 GFEDMO COC(=O)c1cccc(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1Br ZINC000331160564 563537921 /nfs/dbraw/zinc/53/79/21/563537921.db2.gz RCPAJTCINQDPOQ-GHMZBOCLSA-N 1 1 384.274 2.806 20 30 GFEDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408395002 563553589 /nfs/dbraw/zinc/55/35/89/563553589.db2.gz LMIXHVOBVVCMJS-ZIAGYGMSSA-N 1 1 398.326 2.568 20 30 GFEDMO C=CC[N@@H+](C)CCN(CC)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000411634775 563627132 /nfs/dbraw/zinc/62/71/32/563627132.db2.gz AUUIYBWLPFCOIV-UHFFFAOYSA-N 1 1 389.359 2.663 20 30 GFEDMO C=CC[N@H+](C)CCN(CC)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000411634775 563627133 /nfs/dbraw/zinc/62/71/33/563627133.db2.gz AUUIYBWLPFCOIV-UHFFFAOYSA-N 1 1 389.359 2.663 20 30 GFEDMO N#Cc1ccc(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c(Br)c1 ZINC000411965257 563642744 /nfs/dbraw/zinc/64/27/44/563642744.db2.gz JYWJOERKUJEQRN-IBGZPJMESA-N 1 1 384.277 2.950 20 30 GFEDMO C=CCN(C)C(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000288857460 563659464 /nfs/dbraw/zinc/65/94/64/563659464.db2.gz XEKRARAMPYWHPL-UHFFFAOYSA-N 1 1 384.307 2.718 20 30 GFEDMO C[N@H+](CCC#N)C[C@H](O)Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000414114096 563719795 /nfs/dbraw/zinc/71/97/95/563719795.db2.gz ABAIOXLWMRSMHA-AWEZNQCLSA-N 1 1 381.249 2.658 20 30 GFEDMO C[N@@H+](CCC#N)C[C@H](O)Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000414114096 563719800 /nfs/dbraw/zinc/71/98/00/563719800.db2.gz ABAIOXLWMRSMHA-AWEZNQCLSA-N 1 1 381.249 2.658 20 30 GFEDMO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000365505924 563785031 /nfs/dbraw/zinc/78/50/31/563785031.db2.gz FYHFDOHBHRCLDD-MAUKXSAKSA-N 1 1 375.519 2.900 20 30 GFEDMO C[C@H](C#N)S(=O)(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000416369834 563818378 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N#Cc1ccc(OCC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1Br ZINC000530024014 564860435 /nfs/dbraw/zinc/86/04/35/564860435.db2.gz ZTZHRLWFUFTAAI-HNNXBMFYSA-N 1 1 392.297 2.833 20 30 GFEDMO Cc1ccc2c(ncc(C#N)c2N2CC[N@@H+]3CCOC[C@@H]3C2)c1Br ZINC000530486729 564884895 /nfs/dbraw/zinc/88/48/95/564884895.db2.gz GUNFWCSQAHLHQN-AWEZNQCLSA-N 1 1 387.281 2.698 20 30 GFEDMO Cc1ccc2c(ncc(C#N)c2N2CC[N@H+]3CCOC[C@@H]3C2)c1Br ZINC000530486729 564884897 /nfs/dbraw/zinc/88/48/97/564884897.db2.gz GUNFWCSQAHLHQN-AWEZNQCLSA-N 1 1 387.281 2.698 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000560029982 564945531 /nfs/dbraw/zinc/94/55/31/564945531.db2.gz XSDXRZYMYHZOFE-CABCVRRESA-N 1 1 381.929 2.659 20 30 GFEDMO C=CC[C@@]1(C(=O)Nc2nc3ccc(I)cc3[nH]2)CCC[NH2+]1 ZINC000595983182 565503817 /nfs/dbraw/zinc/50/38/17/565503817.db2.gz ZLVQYQKBOJGWCE-HNNXBMFYSA-N 1 1 396.232 2.804 20 30 GFEDMO C[N@H+]1CCCC[C@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000600313212 565723777 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20 30 GFEDMO C=CCC(F)(F)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000837007919 660964748 /nfs/dbraw/zinc/96/47/48/660964748.db2.gz LRNIKNKVWZNJMT-UHFFFAOYSA-N 1 1 389.244 2.746 20 30 GFEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000839635337 661097227 /nfs/dbraw/zinc/09/72/27/661097227.db2.gz HHXYAMSDBZHYBC-QBIMZIAESA-N 1 1 396.329 2.857 20 30 GFEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000839635337 661097231 /nfs/dbraw/zinc/09/72/31/661097231.db2.gz HHXYAMSDBZHYBC-QBIMZIAESA-N 1 1 396.329 2.857 20 30 GFEDMO N#Cc1cccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000119967988 655323171 /nfs/dbraw/zinc/32/31/71/655323171.db2.gz VEIQIDXSMUYTAA-INIZCTEOSA-N 1 1 375.519 2.810 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)/C=C\c2cccc(Br)c2)CC1 ZINC000255517114 655439311 /nfs/dbraw/zinc/43/93/11/655439311.db2.gz QYUPWFOHBIXWRY-WQLSENKSSA-N 1 1 385.327 2.990 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000729811971 655568861 /nfs/dbraw/zinc/56/88/61/655568861.db2.gz ICGZSWGFSNSYSW-CHWSQXEVSA-N 1 1 383.275 2.753 20 30 GFEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cc(Cl)sc1Cl ZINC000744728059 655744310 /nfs/dbraw/zinc/74/43/10/655744310.db2.gz LYABDHBNXIQWAZ-UHFFFAOYSA-N 1 1 395.381 2.965 20 30 GFEDMO C=CCS(=O)(=O)CC[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000775015591 656586600 /nfs/dbraw/zinc/58/66/00/656586600.db2.gz JAPGSTISTYTIGT-UHFFFAOYSA-N 1 1 375.313 2.749 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc(Br)c(OC)c(OC)c1 ZINC000793140039 658362961 /nfs/dbraw/zinc/36/29/61/658362961.db2.gz IEPULZHGNBJJPT-ZDUSSCGKSA-N 1 1 382.254 2.721 20 30 GFEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000801947790 659435934 /nfs/dbraw/zinc/43/59/34/659435934.db2.gz CYQNCXJSOVRWRR-ZDUSSCGKSA-N 1 1 385.302 2.959 20 30 GFEDMO C#CCN1CCN(C(=O)C[NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000810023432 659956833 /nfs/dbraw/zinc/95/68/33/659956833.db2.gz POWGMIQVLDJAEC-LJQANCHMSA-N 1 1 380.319 2.812 20 30 GFEDMO O=C(NC[C@H]1CCC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1)C(F)(F)F ZINC000810072466 659959417 /nfs/dbraw/zinc/95/94/17/659959417.db2.gz UEEWFXZKZIGLHF-SECBINFHSA-N 1 1 386.283 2.591 20 30 GFEDMO C#CC[C@@H]1NC(=O)N(C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000842245493 661329991 /nfs/dbraw/zinc/32/99/91/661329991.db2.gz XADHGYZDMYBAMY-INIZCTEOSA-N 1 1 380.275 2.902 20 30 GFEDMO Cn1nc(Br)c2c1ncnc2N=NC1CCC[N@H+]2CCCC[C@@H]12 ZINC000848403938 661645756 /nfs/dbraw/zinc/64/57/56/661645756.db2.gz FXZHDUMKWABENA-NSHDSACASA-N 1 1 378.278 2.542 20 30 GFEDMO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000850369274 661773225 /nfs/dbraw/zinc/77/32/25/661773225.db2.gz SVTFBPZZEQYAMZ-IUODEOHRSA-N 1 1 386.311 2.516 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000857852393 662092175 /nfs/dbraw/zinc/09/21/75/662092175.db2.gz PZQFHPXENBUIBA-UHFFFAOYSA-N 1 1 382.277 2.611 20 30 GFEDMO N#Cc1cc(CS(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cs1 ZINC000913845572 664360807 /nfs/dbraw/zinc/36/08/07/664360807.db2.gz WEIZMNBVSUXILM-INIZCTEOSA-N 1 1 379.507 2.859 20 30 GFEDMO C[C@@]1(NS(=O)(=O)Cc2csc(C#N)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000916726931 664469873 /nfs/dbraw/zinc/46/98/73/664469873.db2.gz HPWQWWXBESHEFE-GOSISDBHSA-N 1 1 375.519 2.704 20 30 GFEDMO CN1CC[NH+](CCC(C)(C)NCc2cc(C#N)ccc2Br)CC1 ZINC000922013230 664581194 /nfs/dbraw/zinc/58/11/94/664581194.db2.gz ZXQANYXEDRLNBG-UHFFFAOYSA-N 1 1 379.346 2.826 20 30 GFEDMO C=C1CCN(C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)CC1 ZINC000931671441 664802267 /nfs/dbraw/zinc/80/22/67/664802267.db2.gz HQEKWXKYDHGGTN-UHFFFAOYSA-N 1 1 394.317 2.780 20 30 GFEDMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccc(C#N)cc1I ZINC000932548826 664825709 /nfs/dbraw/zinc/82/57/09/664825709.db2.gz AFQXSCGRUYMEMF-UHFFFAOYSA-N 1 1 398.248 2.721 20 30 GFEDMO C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2I)C[C@H](C)[N@@H+]1C ZINC000932549895 664825955 /nfs/dbraw/zinc/82/59/55/664825955.db2.gz OSEMHUAHXQOBPM-PHIMTYICSA-N 1 1 398.248 2.719 20 30 GFEDMO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000934465609 664907386 /nfs/dbraw/zinc/90/73/86/664907386.db2.gz FAXCBUWJQTYKSC-JSGCOSHPSA-N 1 1 385.917 2.568 20 30 GFEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000934465609 664907389 /nfs/dbraw/zinc/90/73/89/664907389.db2.gz FAXCBUWJQTYKSC-JSGCOSHPSA-N 1 1 385.917 2.568 20 30 GFEDMO C=C(Br)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001054166377 665078164 /nfs/dbraw/zinc/07/81/64/665078164.db2.gz BAFLKRIQCSCJPX-MPTZMVSHSA-N 1 1 395.341 2.633 20 30 GFEDMO C=C(Br)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001054166377 665078167 /nfs/dbraw/zinc/07/81/67/665078167.db2.gz BAFLKRIQCSCJPX-MPTZMVSHSA-N 1 1 395.341 2.633 20 30 GFEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(C#N)cc1C#N)C2 ZINC001164816530 720114320 /nfs/dbraw/zinc/11/43/20/720114320.db2.gz ZXAULUQAGXQTDD-PXNSSMCTSA-N 1 1 385.899 2.663 20 30 GFEDMO N#CCc1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164877599 721170738 /nfs/dbraw/zinc/17/07/38/721170738.db2.gz OXXKEBKJMKZCRL-ROUUACIJSA-N 1 1 383.883 2.676 20 30 GFEDMO CC(C)c1ccc(C#N)c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164892869 721388192 /nfs/dbraw/zinc/38/81/92/721388192.db2.gz UBXRIINOZZYVPE-OFNKIYASSA-N 1 1 397.567 2.842 20 30 GFEDMO COc1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ncc1C#N ZINC001164793826 721492463 /nfs/dbraw/zinc/49/24/63/721492463.db2.gz XRDHSBWOAKPKKR-UHFFFAOYSA-N 1 1 378.480 2.633 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3[nH]c(C#N)cc3n2)[C@@H]2CCCO[C@H]12 ZINC001164809874 721574701 /nfs/dbraw/zinc/57/47/01/721574701.db2.gz XSLZVFOXEZZNRP-SJBKTWHCSA-N 1 1 388.475 2.698 20 30 GFEDMO N#Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(C#N)c1 ZINC001164907068 721695659 /nfs/dbraw/zinc/69/56/59/721695659.db2.gz QVIBAXNPRLZYFL-FQEVSTJZSA-N 1 1 394.429 2.958 20 30 GFEDMO N#C[C@@H](c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)nn1)c1ccccc1F ZINC001165040209 721913043 /nfs/dbraw/zinc/91/30/43/721913043.db2.gz ZRCWGTDPVNHWMS-SJLPKXTDSA-N 1 1 381.455 2.572 20 30 GFEDMO N#Cc1c(F)ccnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164964830 722057368 /nfs/dbraw/zinc/05/73/68/722057368.db2.gz YEFRGZIFBYLEFY-UHFFFAOYSA-N 1 1 381.455 2.606 20 30 GFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(I)cc1 ZINC000121470043 551235224 /nfs/dbraw/zinc/23/52/24/551235224.db2.gz BEVQHRPJBPKWPV-UHFFFAOYSA-N 1 1 395.248 2.533 20 30 GFEDMO COc1ccc(Br)cc1C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153299280 551450133 /nfs/dbraw/zinc/45/01/33/551450133.db2.gz MZKREAZMINCOCX-UHFFFAOYSA-N 1 1 378.274 2.699 20 30 GFEDMO Cn1cc(Br)cc1C[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000156900936 551530054 /nfs/dbraw/zinc/53/00/54/551530054.db2.gz HKZKNKWUSYRWFS-QGZVFWFLSA-N 1 1 392.297 2.725 20 30 GFEDMO N#CCCCCS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161829355 551598782 /nfs/dbraw/zinc/59/87/82/551598782.db2.gz OHTXCZWRJRJTPO-INIZCTEOSA-N 1 1 385.917 2.623 20 30 GFEDMO N#CCCCCS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161829355 551598785 /nfs/dbraw/zinc/59/87/85/551598785.db2.gz OHTXCZWRJRJTPO-INIZCTEOSA-N 1 1 385.917 2.623 20 30 GFEDMO CC(C)([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccccc1Br ZINC000181523513 552259444 /nfs/dbraw/zinc/25/94/44/552259444.db2.gz BMKOYJYHZJIELF-UHFFFAOYSA-N 1 1 377.286 2.930 20 30 GFEDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ncc(Br)cc2C#N)C[C@@H](C)O1 ZINC000295112128 563229758 /nfs/dbraw/zinc/22/97/58/563229758.db2.gz VMAHXTYFIZCPTM-IOASZLSFSA-N 1 1 379.302 2.794 20 30 GFEDMO CCN1CCC([N@@H+]2CCCN(c3ncc(Br)cc3C#N)CC2)CC1 ZINC000420623196 563268633 /nfs/dbraw/zinc/26/86/33/563268633.db2.gz HSCFPFJAFLGPBQ-UHFFFAOYSA-N 1 1 392.345 2.712 20 30 GFEDMO CCN1CCC([N@H+]2CCCN(c3ncc(Br)cc3C#N)CC2)CC1 ZINC000420623196 563268636 /nfs/dbraw/zinc/26/86/36/563268636.db2.gz HSCFPFJAFLGPBQ-UHFFFAOYSA-N 1 1 392.345 2.712 20 30 GFEDMO C[C@@H](C[NH+]1CCN(C)CC1)Nc1c(C#N)cnc2c(Br)cccc21 ZINC000281635573 563381898 /nfs/dbraw/zinc/38/18/98/563381898.db2.gz LVDHPFIUNVBVQU-ZDUSSCGKSA-N 1 1 388.313 2.917 20 30 GFEDMO CC[C@H]1CN(C(=O)Nc2nc(C(F)(F)F)cs2)C[C@H]1[NH+]1CCOCC1 ZINC000330182081 563497732 /nfs/dbraw/zinc/49/77/32/563497732.db2.gz HAYGUHQBHVGACK-WDEREUQCSA-N 1 1 378.420 2.750 20 30 GFEDMO C[C@H](C(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1)[NH+]1CCSCC1 ZINC000330339757 563502089 /nfs/dbraw/zinc/50/20/89/563502089.db2.gz XBUGWXJQGFJYLA-VXGBXAGGSA-N 1 1 376.448 2.858 20 30 GFEDMO COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000330577376 563511500 /nfs/dbraw/zinc/51/15/00/563511500.db2.gz RNFGFXHFKBYNSS-GHMZBOCLSA-N 1 1 376.284 2.934 20 30 GFEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(S(N)(=O)=O)cc1Cl ZINC000330688084 563517515 /nfs/dbraw/zinc/51/75/15/563517515.db2.gz NYMATFDGRFSTGD-XQQFMLRXSA-N 1 1 387.933 2.658 20 30 GFEDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000330897463 563525918 /nfs/dbraw/zinc/52/59/18/563525918.db2.gz UHFUMQNJQIEBEY-GHMZBOCLSA-N 1 1 375.441 2.598 20 30 GFEDMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(F)c(Br)cc2F)[C@H](C)C1 ZINC000331206139 563540082 /nfs/dbraw/zinc/54/00/82/563540082.db2.gz ZKNHUACLLAJGOX-ZJUUUORDSA-N 1 1 392.244 2.660 20 30 GFEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cc(F)c(Br)cc2F)[C@H](C)C1 ZINC000331206139 563540084 /nfs/dbraw/zinc/54/00/84/563540084.db2.gz ZKNHUACLLAJGOX-ZJUUUORDSA-N 1 1 392.244 2.660 20 30 GFEDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1c(F)cc(Br)cc1F ZINC000331324708 563546035 /nfs/dbraw/zinc/54/60/35/563546035.db2.gz MGEGIGCMHXAMBU-NSHDSACASA-N 1 1 377.229 2.879 20 30 GFEDMO CN(CCOc1ccc(Br)cc1)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000506029428 564194937 /nfs/dbraw/zinc/19/49/37/564194937.db2.gz BVYDTOWKMNWTHA-UHFFFAOYSA-N 1 1 394.313 2.912 20 30 GFEDMO CC[N@H+]1CCC[C@H](CNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000449815998 564202722 /nfs/dbraw/zinc/20/27/22/564202722.db2.gz TVPFBCZZWJBEMZ-CYBMUJFWSA-N 1 1 380.286 2.548 20 30 GFEDMO CCOCC[N@@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@H]1CC ZINC000449879196 564208055 /nfs/dbraw/zinc/20/80/55/564208055.db2.gz FQFDHNFXZKOTOM-OAHLLOKOSA-N 1 1 394.313 2.894 20 30 GFEDMO CCOCC[N@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@H]1CC ZINC000449879196 564208058 /nfs/dbraw/zinc/20/80/58/564208058.db2.gz FQFDHNFXZKOTOM-OAHLLOKOSA-N 1 1 394.313 2.894 20 30 GFEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)CSC[C@@H]1C[N@H+](C)CCO1 ZINC000564957764 564259367 /nfs/dbraw/zinc/25/93/67/564259367.db2.gz BXIFWGCGLBSSBH-GJZGRUSLSA-N 1 1 379.551 2.941 20 30 GFEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)CSC[C@@H]1C[N@@H+](C)CCO1 ZINC000564957764 564259371 /nfs/dbraw/zinc/25/93/71/564259371.db2.gz BXIFWGCGLBSSBH-GJZGRUSLSA-N 1 1 379.551 2.941 20 30 GFEDMO N#CC1(NC(=O)C[NH2+][C@H](CCO)c2ccccc2Br)CCCCC1 ZINC000542878811 564329794 /nfs/dbraw/zinc/32/97/94/564329794.db2.gz KJNJCTLUKOVEAM-MRXNPFEDSA-N 1 1 394.313 2.805 20 30 GFEDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000480708614 564483083 /nfs/dbraw/zinc/48/30/83/564483083.db2.gz WZLFJXSYBMDCHH-XJKSGUPXSA-N 1 1 394.313 2.684 20 30 GFEDMO CC1(C)CCC[N@H+]1CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000457046055 564644026 /nfs/dbraw/zinc/64/40/26/564644026.db2.gz BGXXCZZJXIWUFD-UHFFFAOYSA-N 1 1 380.286 2.690 20 30 GFEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487882726 564698226 /nfs/dbraw/zinc/69/82/26/564698226.db2.gz PSQQCQZPKBZXLI-AWEZNQCLSA-N 1 1 381.274 2.553 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(F)cc1 ZINC000553885212 564743537 /nfs/dbraw/zinc/74/35/37/564743537.db2.gz AVSQWJOELSWYLE-INIZCTEOSA-N 1 1 381.860 2.932 20 30 GFEDMO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459462706 564745683 /nfs/dbraw/zinc/74/56/83/564745683.db2.gz LNNOLCIIHFVTTF-XJKSGUPXSA-N 1 1 380.286 2.568 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000528546434 564792924 /nfs/dbraw/zinc/79/29/24/564792924.db2.gz KYTDTQQSCKDETG-MRXNPFEDSA-N 1 1 399.303 2.841 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1Br ZINC000528556186 564795117 /nfs/dbraw/zinc/79/51/17/564795117.db2.gz ZKONRJIOIBWTGK-AWEZNQCLSA-N 1 1 398.326 2.616 20 30 GFEDMO COCC[N@@H+](CCC(=O)N(C)CCC#N)Cc1ccc(Br)s1 ZINC000494247085 564820081 /nfs/dbraw/zinc/82/00/81/564820081.db2.gz HFGWQQTVYWLPHJ-UHFFFAOYSA-N 1 1 388.331 2.721 20 30 GFEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CSc2ccc(C#N)cc2Cl)C1 ZINC000533176909 564956618 /nfs/dbraw/zinc/95/66/18/564956618.db2.gz GSQSBSYQSCHGAB-OAHLLOKOSA-N 1 1 381.929 2.777 20 30 GFEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000592184551 565262404 /nfs/dbraw/zinc/26/24/04/565262404.db2.gz JYKMVILZHJTRJX-AWEZNQCLSA-N 1 1 390.203 2.821 20 30 GFEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000592184551 565262406 /nfs/dbraw/zinc/26/24/06/565262406.db2.gz JYKMVILZHJTRJX-AWEZNQCLSA-N 1 1 390.203 2.821 20 30 GFEDMO Cc1ccc(NCCCNC(=O)Cc2ccc(Br)cc2C#N)[nH+]c1 ZINC000593505949 565336824 /nfs/dbraw/zinc/33/68/24/565336824.db2.gz XGXOVDMWVLNDPV-UHFFFAOYSA-N 1 1 387.281 2.607 20 30 GFEDMO CC[C@@H](CNS(=O)(=O)c1ccsc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000593531561 565337755 /nfs/dbraw/zinc/33/77/55/565337755.db2.gz PLNROUBIHWUEJR-INIZCTEOSA-N 1 1 375.519 2.735 20 30 GFEDMO CC[C@@H](CNS(=O)(=O)c1ccsc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000593531561 565337761 /nfs/dbraw/zinc/33/77/61/565337761.db2.gz PLNROUBIHWUEJR-INIZCTEOSA-N 1 1 375.519 2.735 20 30 GFEDMO C[N@@H+](CCc1ccc(Br)cc1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599298263 565668951 /nfs/dbraw/zinc/66/89/51/565668951.db2.gz WYSANTKQZUTSCJ-KRWDZBQOSA-N 1 1 381.314 2.995 20 30 GFEDMO COc1ccc(Br)c(C[N@H+](C)C[C@H](O)CC2(C#N)CCOCC2)c1 ZINC000599388661 565674565 /nfs/dbraw/zinc/67/45/65/565674565.db2.gz LTLONCBIDWKUOB-OAHLLOKOSA-N 1 1 397.313 2.961 20 30 GFEDMO COc1ccc(Br)c(C[N@@H+](C)C[C@H](O)CC2(C#N)CCOCC2)c1 ZINC000599388661 565674567 /nfs/dbraw/zinc/67/45/67/565674567.db2.gz LTLONCBIDWKUOB-OAHLLOKOSA-N 1 1 397.313 2.961 20 30 GFEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599525879 565686582 /nfs/dbraw/zinc/68/65/82/565686582.db2.gz AWEPLHPKEUVDAX-AWEZNQCLSA-N 1 1 398.326 2.627 20 30 GFEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599525879 565686589 /nfs/dbraw/zinc/68/65/89/565686589.db2.gz AWEPLHPKEUVDAX-AWEZNQCLSA-N 1 1 398.326 2.627 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000601480520 565786154 /nfs/dbraw/zinc/78/61/54/565786154.db2.gz CWCLOXFWDJJDPA-AWEZNQCLSA-N 1 1 375.416 2.531 20 30 GFEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H](C)N1CC#N ZINC000602852587 565870799 /nfs/dbraw/zinc/87/07/99/565870799.db2.gz CZCCRQPBZUJIEZ-OKILXGFUSA-N 1 1 379.302 2.696 20 30 GFEDMO N#Cc1c(Br)cccc1N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603424433 565904859 /nfs/dbraw/zinc/90/48/59/565904859.db2.gz VSPOUBCPKKUKIJ-OAHLLOKOSA-N 1 1 393.329 2.529 20 30 GFEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737703236 598680849 /nfs/dbraw/zinc/68/08/49/598680849.db2.gz AVBQEPUQFQDRMI-UHFFFAOYSA-N 1 1 377.427 2.590 20 30 GFEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737703236 598680850 /nfs/dbraw/zinc/68/08/50/598680850.db2.gz AVBQEPUQFQDRMI-UHFFFAOYSA-N 1 1 377.427 2.590 20 30 GFEDMO N#Cc1ccc(C[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C2CC2)cc1 ZINC000822825352 599637151 /nfs/dbraw/zinc/63/71/51/599637151.db2.gz BQLLWRSCLUMRML-UHFFFAOYSA-N 1 1 387.447 2.732 20 30 GFEDMO Clc1ccccc1C#CCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826353467 607483128 /nfs/dbraw/zinc/48/31/28/607483128.db2.gz QKLOFQIQVUMRGQ-UHFFFAOYSA-N 1 1 392.894 2.689 20 30 GFEDMO Fc1ccc(C#CC[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826373298 607527099 /nfs/dbraw/zinc/52/70/99/607527099.db2.gz HIUWGDJZAMVPNN-UHFFFAOYSA-N 1 1 377.423 2.901 20 30 GFEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000823919962 607921256 /nfs/dbraw/zinc/92/12/56/607921256.db2.gz UREGLENPEUKKDS-UHFFFAOYSA-N 1 1 388.431 2.713 20 30 GFEDMO C=CC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccc(OC)cc1 ZINC000823909366 608613978 /nfs/dbraw/zinc/61/39/78/608613978.db2.gz AJZCLTBOGZMMAG-UHFFFAOYSA-N 1 1 375.436 2.711 20 30 GFEDMO C=CC[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccc(OC)cc1 ZINC000823909366 608613981 /nfs/dbraw/zinc/61/39/81/608613981.db2.gz AJZCLTBOGZMMAG-UHFFFAOYSA-N 1 1 375.436 2.711 20 30 GFEDMO C#C[C@@H](NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)c1ccc(Br)cc1 ZINC000820610783 660299266 /nfs/dbraw/zinc/29/92/66/660299266.db2.gz DMEQVZLEMUULTI-USXIJHARSA-N 1 1 376.298 2.859 20 30 GFEDMO N#Cc1c(Br)cccc1OCC(=O)O[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000835394902 660854735 /nfs/dbraw/zinc/85/47/35/660854735.db2.gz CKTUHWXPSZZVSL-QWHCGFSZSA-N 1 1 379.254 2.870 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000836489983 660910418 /nfs/dbraw/zinc/91/04/18/660910418.db2.gz AMKHHSGGYQOTQT-UHFFFAOYSA-N 1 1 382.277 2.611 20 30 GFEDMO C[N@H+](CCOc1ccc(Br)cc1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000007018292 654460285 /nfs/dbraw/zinc/46/02/85/654460285.db2.gz APHLVDALUAGGAM-KRWDZBQOSA-N 1 1 380.286 2.568 20 30 GFEDMO C[N@@H+](CCOc1ccc(Br)cc1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000007018292 654460290 /nfs/dbraw/zinc/46/02/90/654460290.db2.gz APHLVDALUAGGAM-KRWDZBQOSA-N 1 1 380.286 2.568 20 30 GFEDMO N#Cc1cc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)ccc1F ZINC000097549498 655035682 /nfs/dbraw/zinc/03/56/82/655035682.db2.gz XWMXJKDKEVQSEY-INIZCTEOSA-N 1 1 379.482 2.874 20 30 GFEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)c(O)c(OCC)c2)C1=O ZINC000298013993 655372011 /nfs/dbraw/zinc/37/20/11/655372011.db2.gz CPOBUNYENHKCMF-AWEZNQCLSA-N 1 1 383.286 2.772 20 30 GFEDMO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Br)c(O)c(OCC)c2)C1=O ZINC000298013993 655372013 /nfs/dbraw/zinc/37/20/13/655372013.db2.gz CPOBUNYENHKCMF-AWEZNQCLSA-N 1 1 383.286 2.772 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(I)c(F)c1 ZINC000729812025 655568922 /nfs/dbraw/zinc/56/89/22/655568922.db2.gz JOLJGULJLCMVLK-GFCCVEGCSA-N 1 1 387.192 2.685 20 30 GFEDMO FC(F)(F)C1CCC(C=NNC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000767367560 656200934 /nfs/dbraw/zinc/20/09/34/656200934.db2.gz OXEBQRQVPBSNGO-UHFFFAOYSA-N 1 1 380.480 2.527 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cccc(F)c1I ZINC000770123977 656307170 /nfs/dbraw/zinc/30/71/70/656307170.db2.gz GKZGQDOINSUOIX-LLVKDONJSA-N 1 1 387.192 2.685 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cccc(F)c1I ZINC000770123977 656307172 /nfs/dbraw/zinc/30/71/72/656307172.db2.gz GKZGQDOINSUOIX-LLVKDONJSA-N 1 1 387.192 2.685 20 30 GFEDMO C=CCS(=O)(=O)CC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000782966456 657197481 /nfs/dbraw/zinc/19/74/81/657197481.db2.gz FGRMXMRDPTWKCG-UHFFFAOYSA-N 1 1 384.242 2.741 20 30 GFEDMO C#CCN(C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000809946007 659952970 /nfs/dbraw/zinc/95/29/70/659952970.db2.gz KMIMKMLQARDPTK-AEFFLSMTSA-N 1 1 393.325 2.663 20 30 GFEDMO Fc1ccc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c(I)c1 ZINC000841634533 661307045 /nfs/dbraw/zinc/30/70/45/661307045.db2.gz YTCGLELRAZSYOI-STQMWFEESA-N 1 1 386.212 2.624 20 30 GFEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1oc2ccccc2c1Cl ZINC000842521959 661343322 /nfs/dbraw/zinc/34/33/22/661343322.db2.gz JMDDPGDZAFKCCR-UHFFFAOYSA-N 1 1 380.901 2.607 20 30 GFEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(I)cc2C)C1 ZINC000847023540 661573722 /nfs/dbraw/zinc/57/37/22/661573722.db2.gz DKZXEHDDKVSADM-CYBMUJFWSA-N 1 1 382.245 2.883 20 30 GFEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(I)cc2C)C1 ZINC000847023540 661573726 /nfs/dbraw/zinc/57/37/26/661573726.db2.gz DKZXEHDDKVSADM-CYBMUJFWSA-N 1 1 382.245 2.883 20 30 GFEDMO C#C[C@@H]1CCC[N@@H+](Cn2c(=O)oc3cc(I)ccc32)C1 ZINC000848493338 661655999 /nfs/dbraw/zinc/65/59/99/661655999.db2.gz HSKSSLNZMLYVFI-LLVKDONJSA-N 1 1 382.201 2.502 20 30 GFEDMO C#C[C@@H]1CCC[N@H+](Cn2c(=O)oc3cc(I)ccc32)C1 ZINC000848493338 661656008 /nfs/dbraw/zinc/65/60/08/661656008.db2.gz HSKSSLNZMLYVFI-LLVKDONJSA-N 1 1 382.201 2.502 20 30 GFEDMO N#CCCCC[C@H]([NH3+])c1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000848631448 661668935 /nfs/dbraw/zinc/66/89/35/661668935.db2.gz GXEUKKKDDHBYNT-ZDUSSCGKSA-N 1 1 392.257 2.846 20 30 GFEDMO COC[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCC1)c1cccc(Br)c1 ZINC000871924412 662742482 /nfs/dbraw/zinc/74/24/82/662742482.db2.gz JAHUGZCGYQIIFM-IUODEOHRSA-N 1 1 380.286 2.677 20 30 GFEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)cc1 ZINC000878876179 662907953 /nfs/dbraw/zinc/90/79/53/662907953.db2.gz TXVZBTQLPYBXPX-FUHWJXTLSA-N 1 1 388.265 2.902 20 30 GFEDMO N#Cc1cnc(Cl)c(C[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)c1 ZINC000898290792 663642492 /nfs/dbraw/zinc/64/24/92/663642492.db2.gz ZKGDTILOFYOYEQ-UHFFFAOYSA-N 1 1 376.869 2.801 20 30 GFEDMO O=c1oc2cccc(Br)c2n1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902599539 663764272 /nfs/dbraw/zinc/76/42/72/663764272.db2.gz DVLBGHHAWYPLBT-UHFFFAOYSA-N 1 1 393.237 2.652 20 30 GFEDMO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cc(C#N)ccn1 ZINC000902986515 663770529 /nfs/dbraw/zinc/77/05/29/663770529.db2.gz BRVLUAMJLJNYDJ-LLVKDONJSA-N 1 1 399.303 2.889 20 30 GFEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)S(=O)(=O)c3ccc(C#N)o3)C2)s1 ZINC000907347929 664026789 /nfs/dbraw/zinc/02/67/89/664026789.db2.gz XSNKOUMNGCFNIO-AWEZNQCLSA-N 1 1 379.507 2.664 20 30 GFEDMO N#Cc1cc(CS(=O)(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000915089573 664420921 /nfs/dbraw/zinc/42/09/21/664420921.db2.gz DPSNAPNVVZBDRC-INIZCTEOSA-N 1 1 375.519 2.561 20 30 GFEDMO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(C#N)ccc1Br)C2 ZINC000922385626 664597956 /nfs/dbraw/zinc/59/79/56/664597956.db2.gz JXKIBQJCHRPKKT-NCXUSEDFSA-N 1 1 392.341 2.890 20 30 GFEDMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(C#N)ccc1Br)C2 ZINC000922385626 664597957 /nfs/dbraw/zinc/59/79/57/664597957.db2.gz JXKIBQJCHRPKKT-NCXUSEDFSA-N 1 1 392.341 2.890 20 30 GFEDMO C[NH+]1CCN([C@@H](CNC(=O)Nc2sccc2C#N)c2cccs2)CC1 ZINC000931848714 664805814 /nfs/dbraw/zinc/80/58/14/664805814.db2.gz MNHLCMWVGWDKEN-AWEZNQCLSA-N 1 1 375.523 2.791 20 30 GFEDMO C[N@@H+]1CC=C(CNC(=O)Nc2ccc(C#N)cc2I)CC1 ZINC000932552079 664827281 /nfs/dbraw/zinc/82/72/81/664827281.db2.gz XZAGICQMFJLDGA-UHFFFAOYSA-N 1 1 396.232 2.546 20 30 GFEDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncc(C)cc1C#C[Si](C)(C)C)CC2 ZINC001164686785 719734507 /nfs/dbraw/zinc/73/45/07/719734507.db2.gz SMWWLUKAXHVVSP-UHFFFAOYSA-N 1 1 398.627 2.800 20 30 GFEDMO N#Cc1c[nH]c2nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ncc12 ZINC001164696210 719896342 /nfs/dbraw/zinc/89/63/42/719896342.db2.gz CDNWYMZHWKTMPS-UHFFFAOYSA-N 1 1 394.504 2.762 20 30 GFEDMO N#Cc1c[nH]c2nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)ncc12 ZINC001164696210 719896343 /nfs/dbraw/zinc/89/63/43/719896343.db2.gz CDNWYMZHWKTMPS-UHFFFAOYSA-N 1 1 394.504 2.762 20 30 GFEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nnc(Cl)cc3C#N)CC[C@@H]21 ZINC001164836555 720522435 /nfs/dbraw/zinc/52/24/35/720522435.db2.gz NESOPJIHLVLARZ-IKGGRYGDSA-N 1 1 385.903 2.576 20 30 GFEDMO COc1cc(C#N)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164839594 720551218 /nfs/dbraw/zinc/55/12/18/720551218.db2.gz QROGTMCQWIXQMQ-XKGZKEIXSA-N 1 1 380.496 2.536 20 30 GFEDMO N#Cc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc2ccccc12 ZINC001164881112 721140667 /nfs/dbraw/zinc/14/06/67/721140667.db2.gz ZCCROWIFHYVXLP-UXHICEINSA-N 1 1 385.471 2.981 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc5c(cc4C#N)CCCC5)C[C@H]3C2)cn1 ZINC001164763306 721197166 /nfs/dbraw/zinc/19/71/66/721197166.db2.gz FGRICAZYZUJFET-UYAOXDASSA-N 1 1 376.508 2.524 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)cc(Cl)c4C#N)C[C@@H]3C2)cn1 ZINC001164765480 721235196 /nfs/dbraw/zinc/23/51/96/721235196.db2.gz RLPMVAQDZAEZSH-KBPBESRZSA-N 1 1 391.306 2.952 20 30 GFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C#N)cn1)CC2 ZINC001164784434 721447911 /nfs/dbraw/zinc/44/79/11/721447911.db2.gz FFIPNXUBUPCZKQ-HXUWFJFHSA-N 1 1 384.524 2.687 20 30 GFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C#N)cc(C)n1)CC2 ZINC001164786718 721469849 /nfs/dbraw/zinc/46/98/49/721469849.db2.gz CAEJSMOWAUFDOU-OAQYLSRUSA-N 1 1 398.551 2.996 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(Cl)c(C#N)n2)[C@H]2CCCO[C@H]12 ZINC001164802456 721531763 /nfs/dbraw/zinc/53/17/63/721531763.db2.gz GJWZGYLWGHGXQZ-NSHGMRRFSA-N 1 1 383.883 2.870 20 30 GFEDMO Cc1ccc(CC#N)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164963282 722060331 /nfs/dbraw/zinc/06/03/31/722060331.db2.gz VKQDZEJKQQTFFB-UHFFFAOYSA-N 1 1 391.519 2.970 20 30 GFEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000121715617 551240967 /nfs/dbraw/zinc/24/09/67/551240967.db2.gz AXUQSQNZZAMLGN-DYVFJYSZSA-N 1 1 379.913 2.849 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)CCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000184332119 552332950 /nfs/dbraw/zinc/33/29/50/552332950.db2.gz VNRRZDKTEZENML-HNNXBMFYSA-N 1 1 377.432 2.921 20 30 GFEDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccccc1 ZINC000185533247 552365079 /nfs/dbraw/zinc/36/50/79/552365079.db2.gz LOEJMAAITIBKHQ-WMZOPIPTSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccccc1 ZINC000185533247 552365080 /nfs/dbraw/zinc/36/50/80/552365080.db2.gz LOEJMAAITIBKHQ-WMZOPIPTSA-N 1 1 375.881 2.935 20 30 GFEDMO COC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000193673478 552999927 /nfs/dbraw/zinc/99/99/27/552999927.db2.gz UILNKVUIACFUHE-GOSISDBHSA-N 1 1 378.881 2.963 20 30 GFEDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000245666186 553094849 /nfs/dbraw/zinc/09/48/49/553094849.db2.gz QZPHCKYZHRHXCO-ZWKOTPCHSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000245666186 553094853 /nfs/dbraw/zinc/09/48/53/553094853.db2.gz QZPHCKYZHRHXCO-ZWKOTPCHSA-N 1 1 375.881 2.935 20 30 GFEDMO C[C@@H](CO)[N@H+]1CCCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000374148831 563363209 /nfs/dbraw/zinc/36/32/09/563363209.db2.gz MYNSACMJOKSZSP-ZDUSSCGKSA-N 1 1 389.297 2.762 20 30 GFEDMO C[C@H]1CN(Cc2cc(C#N)ccc2Br)CC[N@@H+]1C1CCN(C)CC1 ZINC000375426189 563404925 /nfs/dbraw/zinc/40/49/25/563404925.db2.gz IFXOPNVPZJWHNI-HNNXBMFYSA-N 1 1 391.357 2.921 20 30 GFEDMO C[C@H]1CN(Cc2cc(C#N)ccc2Br)CC[N@H+]1C1CCN(C)CC1 ZINC000375426189 563404928 /nfs/dbraw/zinc/40/49/28/563404928.db2.gz IFXOPNVPZJWHNI-HNNXBMFYSA-N 1 1 391.357 2.921 20 30 GFEDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282761461 563423679 /nfs/dbraw/zinc/42/36/79/563423679.db2.gz VJXINFONVRGXNT-NHYWBVRUSA-N 1 1 375.416 2.538 20 30 GFEDMO N#Cc1ccc(CS(=O)(=O)NC2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000377304402 563470084 /nfs/dbraw/zinc/47/00/84/563470084.db2.gz AXYQMGUSYMECQX-UHFFFAOYSA-N 1 1 375.519 2.704 20 30 GFEDMO CC(=O)Nc1ncc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)s1 ZINC000329276859 563477504 /nfs/dbraw/zinc/47/75/04/563477504.db2.gz LJGAPDYDQLRNLF-AWEZNQCLSA-N 1 1 386.543 2.826 20 30 GFEDMO C[N@@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2ccc(C#N)s2)CCC1 ZINC000386583243 563518909 /nfs/dbraw/zinc/51/89/09/563518909.db2.gz UVFJEOUGFAXHTQ-UHFFFAOYSA-N 1 1 375.519 2.953 20 30 GFEDMO CN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)s1 ZINC000388568746 563521005 /nfs/dbraw/zinc/52/10/05/563521005.db2.gz CBQCOXJZRQKAGV-INIZCTEOSA-N 1 1 375.519 2.905 20 30 GFEDMO CN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)s1 ZINC000388568746 563521008 /nfs/dbraw/zinc/52/10/08/563521008.db2.gz CBQCOXJZRQKAGV-INIZCTEOSA-N 1 1 375.519 2.905 20 30 GFEDMO C[N@H+]1CCN(CCNC(=O)c2cccc(C#N)c2Br)CC1(C)C ZINC000331311025 563545017 /nfs/dbraw/zinc/54/50/17/563545017.db2.gz HMRSVYGAJBBEFC-UHFFFAOYSA-N 1 1 379.302 2.651 20 30 GFEDMO C=CCOc1c(Br)cc(C[NH2+]Cc2cnnn2C)cc1OCC ZINC000288357155 563639660 /nfs/dbraw/zinc/63/96/60/563639660.db2.gz CPNKWLLBFZZXEK-UHFFFAOYSA-N 1 1 381.274 2.831 20 30 GFEDMO C=CCn1c(SC[C@H](O)C[N@H+](C)C2CC2)nc2cc(Cl)ccc2c1=O ZINC000290734159 563720016 /nfs/dbraw/zinc/72/00/16/563720016.db2.gz GHTPGTCTZPWXQD-CQSZACIVSA-N 1 1 379.913 2.783 20 30 GFEDMO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000443105703 563791949 /nfs/dbraw/zinc/79/19/49/563791949.db2.gz CIOZELAMZUVFPG-GFCCVEGCSA-N 1 1 375.416 2.587 20 30 GFEDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000416480364 563835676 /nfs/dbraw/zinc/83/56/76/563835676.db2.gz QOWHSAVIRHJZOQ-UHFFFAOYSA-N 1 1 378.885 2.937 20 30 GFEDMO C[NH+](C)[C@H](CNC(=O)COc1cccc(Br)c1C#N)c1ccco1 ZINC000449065797 563906459 /nfs/dbraw/zinc/90/64/59/563906459.db2.gz WIZNOVZFUJJBFA-CQSZACIVSA-N 1 1 392.253 2.712 20 30 GFEDMO COC(=O)C[C@@H]1CSCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000471205459 564189083 /nfs/dbraw/zinc/18/90/83/564189083.db2.gz XYHSIIMTFSFHDW-CQSZACIVSA-N 1 1 381.885 2.521 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(CC#N)cc1Cl)c1ccccc1 ZINC000451003026 564262333 /nfs/dbraw/zinc/26/23/33/564262333.db2.gz UDCLCFIFJWNICR-KRWDZBQOSA-N 1 1 377.897 2.987 20 30 GFEDMO CCN1CCN(CC(C)(C)[NH2+]Cc2cc(C#N)ccc2Br)CC1 ZINC000451995016 564378660 /nfs/dbraw/zinc/37/86/60/564378660.db2.gz WNZGQGCGVNKOMU-UHFFFAOYSA-N 1 1 379.346 2.826 20 30 GFEDMO C=C[C@](C)(O)CC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456361919 564602325 /nfs/dbraw/zinc/60/23/25/564602325.db2.gz DBUUEUFWCRKJBI-UGSOOPFHSA-N 1 1 396.329 2.855 20 30 GFEDMO CSc1ccc([C@H](CNS(=O)(=O)c2ccc(C#N)s2)[NH+](C)C)cc1 ZINC000550015184 564613007 /nfs/dbraw/zinc/61/30/07/564613007.db2.gz PQHFQMZQYJYBEJ-HNNXBMFYSA-N 1 1 381.548 2.923 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000573959026 564661886 /nfs/dbraw/zinc/66/18/86/564661886.db2.gz FLBMEOAIPZKFRD-STQMWFEESA-N 1 1 381.929 2.658 20 30 GFEDMO Cc1cc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)ccc1C#N ZINC000486787807 564666647 /nfs/dbraw/zinc/66/66/47/564666647.db2.gz KLYUSFAPNUCBIV-UHFFFAOYSA-N 1 1 375.519 2.871 20 30 GFEDMO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc(C#N)c(Br)c2)CCCO1 ZINC000487887879 564699001 /nfs/dbraw/zinc/69/90/01/564699001.db2.gz YNAVARXVTHTESG-CYBMUJFWSA-N 1 1 395.301 2.943 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000459867810 564763646 /nfs/dbraw/zinc/76/36/46/564763646.db2.gz WNCSGBOEYGINHC-CQSZACIVSA-N 1 1 383.945 2.859 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 ZINC000581565961 564808012 /nfs/dbraw/zinc/80/80/12/564808012.db2.gz PAEDYMWMIYKLEK-KRWDZBQOSA-N 1 1 381.860 2.932 20 30 GFEDMO N#C[C@@H](NC(=O)CCCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000499408321 564926438 /nfs/dbraw/zinc/92/64/38/564926438.db2.gz OYYKKYGISDMOBU-MRXNPFEDSA-N 1 1 380.286 2.632 20 30 GFEDMO C=CCN(C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)C1CC1 ZINC000467156645 564957999 /nfs/dbraw/zinc/95/79/99/564957999.db2.gz BRYOYILTTKHPLI-UHFFFAOYSA-N 1 1 380.286 2.626 20 30 GFEDMO C[NH+]1CCC(C#N)(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000536745726 565046468 /nfs/dbraw/zinc/04/64/68/565046468.db2.gz IBQLJHGJNCSYQA-UHFFFAOYSA-N 1 1 378.263 2.897 20 30 GFEDMO CSc1ccc([C@@H](CNS(=O)(=O)c2ccsc2C#N)[NH+](C)C)cc1 ZINC000593600879 565345998 /nfs/dbraw/zinc/34/59/98/565345998.db2.gz CCPNIJJMGXBYHQ-CQSZACIVSA-N 1 1 381.548 2.923 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000594757187 565415676 /nfs/dbraw/zinc/41/56/76/565415676.db2.gz ABCBYSHSZXIEMM-BDJLRTHQSA-N 1 1 375.519 2.842 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000594757187 565415683 /nfs/dbraw/zinc/41/56/83/565415683.db2.gz ABCBYSHSZXIEMM-BDJLRTHQSA-N 1 1 375.519 2.842 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000594770522 565417585 /nfs/dbraw/zinc/41/75/85/565417585.db2.gz HDUZSNUAUQCNFN-ZBFHGGJFSA-N 1 1 375.519 2.796 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000594770522 565417590 /nfs/dbraw/zinc/41/75/90/565417590.db2.gz HDUZSNUAUQCNFN-ZBFHGGJFSA-N 1 1 375.519 2.796 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000597924844 565583096 /nfs/dbraw/zinc/58/30/96/565583096.db2.gz SPJIFULQZVAHCK-CYBMUJFWSA-N 1 1 380.286 2.689 20 30 GFEDMO C[N@@H+](CCOc1ccc(Br)cc1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599260129 565664881 /nfs/dbraw/zinc/66/48/81/565664881.db2.gz AFEHYHCGQPKXKB-INIZCTEOSA-N 1 1 397.313 2.831 20 30 GFEDMO C[N@H+]1CCCC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000599414737 565677306 /nfs/dbraw/zinc/67/73/06/565677306.db2.gz HOFMKXFZXOYGOS-GFCCVEGCSA-N 1 1 375.416 2.587 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000600759014 565748500 /nfs/dbraw/zinc/74/85/00/565748500.db2.gz KUJQCFRZRQERTF-UHFFFAOYSA-N 1 1 378.416 2.655 20 30 GFEDMO C=CC[C@H]1CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000602528952 565852995 /nfs/dbraw/zinc/85/29/95/565852995.db2.gz CYEYTJFWKTVFSE-VIFPVBQESA-N 1 1 388.274 2.994 20 30 GFEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@H](C)N1CC#N ZINC000602865021 565871926 /nfs/dbraw/zinc/87/19/26/565871926.db2.gz SAZBROJQSZOMAK-OKILXGFUSA-N 1 1 379.302 2.696 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)c1ccc(Cl)cc1 ZINC000611024728 566111045 /nfs/dbraw/zinc/11/10/45/566111045.db2.gz SMHHGADHSLJONH-MRXNPFEDSA-N 1 1 381.860 2.932 20 30 GFEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(OC)c(OC)cc1O ZINC000823915309 608544678 /nfs/dbraw/zinc/54/46/78/608544678.db2.gz UAWIHHHSETXTGV-UHFFFAOYSA-N 1 1 381.436 2.778 20 30 GFEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cccc(-c4nn[nH]n4)c3F)CC2)cc1 ZINC000826384721 608642702 /nfs/dbraw/zinc/64/27/02/608642702.db2.gz HDNXUQWWHFTYQB-UHFFFAOYSA-N 1 1 391.454 2.585 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(Cl)c(I)c1 ZINC000818599391 660229643 /nfs/dbraw/zinc/22/96/43/660229643.db2.gz NUXBPUMSFXZJNK-UHFFFAOYSA-N 1 1 390.652 2.630 20 30 GFEDMO COC(=O)C1(C#N)CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000831687032 660719646 /nfs/dbraw/zinc/71/96/46/660719646.db2.gz GEIOQVQUUCCFBJ-GFCCVEGCSA-N 1 1 387.263 2.512 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000836385743 660903107 /nfs/dbraw/zinc/90/31/07/660903107.db2.gz JIUAWFRISDVHHD-YOEHRIQHSA-N 1 1 396.329 2.779 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000836486889 660910104 /nfs/dbraw/zinc/91/01/04/660910104.db2.gz KABQFJVAOKBCIP-UHFFFAOYSA-N 1 1 376.551 2.977 20 30 GFEDMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccsc1 ZINC000041650575 654628886 /nfs/dbraw/zinc/62/88/86/654628886.db2.gz RAWWTHZTKWFCJM-OAHLLOKOSA-N 1 1 376.869 2.631 20 30 GFEDMO Cc1[nH+]ccn1CCCOC(=O)COc1ccc(C#N)c(Br)c1 ZINC000838225795 661033415 /nfs/dbraw/zinc/03/34/15/661033415.db2.gz SFDGIYRPULOCOL-UHFFFAOYSA-N 1 1 378.226 2.838 20 30 GFEDMO N#CCCN(C(=O)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21)c1cccc(Cl)c1 ZINC000135571349 655020658 /nfs/dbraw/zinc/02/06/58/655020658.db2.gz JJQCPWRLIGQKCC-DLBZAZTESA-N 1 1 379.913 2.793 20 30 GFEDMO N#CCCN(C(=O)C[N@H+]1CCS[C@@H]2COCC[C@@H]21)c1cccc(Cl)c1 ZINC000135571349 655020665 /nfs/dbraw/zinc/02/06/65/655020665.db2.gz JJQCPWRLIGQKCC-DLBZAZTESA-N 1 1 379.913 2.793 20 30 GFEDMO CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC[N@@H+](C)C(C)C ZINC000101953722 655048769 /nfs/dbraw/zinc/04/87/69/655048769.db2.gz CBFYLQUSKGLRJX-UHFFFAOYSA-N 1 1 398.301 2.555 20 30 GFEDMO C=C(Br)C[NH2+]Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000105453911 655093366 /nfs/dbraw/zinc/09/33/66/655093366.db2.gz QHQYSKYZJUSUJT-ZDUSSCGKSA-N 1 1 385.302 2.939 20 30 GFEDMO C[N@@H+](CC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1)[C@H]1CCSC1 ZINC000329143674 655387504 /nfs/dbraw/zinc/38/75/04/655387504.db2.gz VRTMIHMPZZLFSV-LSDHHAIUSA-N 1 1 383.514 2.753 20 30 GFEDMO COC(=O)CC[N@@H+](Cc1cc(C#N)ccc1Br)C[C@H]1CCCO1 ZINC000574346669 655429535 /nfs/dbraw/zinc/42/95/35/655429535.db2.gz NNPHIPLAPUUBRG-OAHLLOKOSA-N 1 1 381.270 2.865 20 30 GFEDMO COC(=O)CC[N@H+](Cc1cc(C#N)ccc1Br)C[C@H]1CCCO1 ZINC000574346669 655429536 /nfs/dbraw/zinc/42/95/36/655429536.db2.gz NNPHIPLAPUUBRG-OAHLLOKOSA-N 1 1 381.270 2.865 20 30 GFEDMO C=CCN(C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1)C1CC1 ZINC000579079495 655493245 /nfs/dbraw/zinc/49/32/45/655493245.db2.gz NFJPNGGNTULTCF-UHFFFAOYSA-N 1 1 394.317 2.778 20 30 GFEDMO C#CCC[NH+]1CCN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC1 ZINC000744364482 655739314 /nfs/dbraw/zinc/73/93/14/655739314.db2.gz FQKHENPVRNCZJX-UHFFFAOYSA-N 1 1 378.245 2.851 20 30 GFEDMO C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000747818663 655783789 /nfs/dbraw/zinc/78/37/89/655783789.db2.gz ZBGWZLDURPEHHW-GFCCVEGCSA-N 1 1 382.291 2.782 20 30 GFEDMO Brc1ccc2c(c1)C=C(C=NNCCC[NH+]1CCOCC1)CO2 ZINC000799489851 659194439 /nfs/dbraw/zinc/19/44/39/659194439.db2.gz FOTSDRLVGFMNJB-UHFFFAOYSA-N 1 1 380.286 2.523 20 30 GFEDMO C#CCC[NH+]1CCN(C(=O)C2(Cc3ccccc3Br)CC2)CC1 ZINC000814106892 660072981 /nfs/dbraw/zinc/07/29/81/660072981.db2.gz OUUNRSFLIIWZRA-UHFFFAOYSA-N 1 1 375.310 2.939 20 30 GFEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC000848923610 661689391 /nfs/dbraw/zinc/68/93/91/661689391.db2.gz GZPDIQGYAIJRCJ-UONOGXRCSA-N 1 1 379.298 2.808 20 30 GFEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC000848923610 661689393 /nfs/dbraw/zinc/68/93/93/661689393.db2.gz GZPDIQGYAIJRCJ-UONOGXRCSA-N 1 1 379.298 2.808 20 30 GFEDMO C=CCS(=O)(=O)CC[NH2+]Cc1cc(Cl)ccc1I ZINC000850243997 661768118 /nfs/dbraw/zinc/76/81/18/661768118.db2.gz KNQSUWCEYSWUJC-UHFFFAOYSA-N 1 1 399.681 2.635 20 30 GFEDMO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000865543338 662428100 /nfs/dbraw/zinc/42/81/00/662428100.db2.gz JAJFYGVUTOLSDO-UHFFFAOYSA-N 1 1 377.897 2.971 20 30 GFEDMO C[C@H]([NH2+]Cc1c(I)cnn1C)c1ccc(OCC#N)cc1 ZINC000866630512 662485291 /nfs/dbraw/zinc/48/52/91/662485291.db2.gz RFLFCBZEBVJZAY-NSHDSACASA-N 1 1 396.232 2.778 20 30 GFEDMO COC[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000879662104 662934981 /nfs/dbraw/zinc/93/49/81/662934981.db2.gz QNKXJSDKPPEXGO-NVXWUHKLSA-N 1 1 380.286 2.535 20 30 GFEDMO C#CCC1(O)CC[NH+](Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000880477983 662960736 /nfs/dbraw/zinc/96/07/36/662960736.db2.gz PZCNCEHVHFYXCM-UHFFFAOYSA-N 1 1 376.254 2.849 20 30 GFEDMO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Br)c(C#N)n1)c1ccco1 ZINC000883075519 663047865 /nfs/dbraw/zinc/04/78/65/663047865.db2.gz DGXVHKLEWCEPEH-GFCCVEGCSA-N 1 1 378.230 2.733 20 30 GFEDMO C=CCC[C@@H]([NH2+]Cc1nn(C)cc1I)[C@H]1CCCO1 ZINC000883226909 663051745 /nfs/dbraw/zinc/05/17/45/663051745.db2.gz HQEICLHYRTUMOM-TZMCWYRMSA-N 1 1 375.254 2.628 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884958662 663079868 /nfs/dbraw/zinc/07/98/68/663079868.db2.gz AQVQNJFMVLYHBN-CABCVRRESA-N 1 1 375.519 2.987 20 30 GFEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885284699 663088276 /nfs/dbraw/zinc/08/82/76/663088276.db2.gz XQOFAEIYZBIIMC-HLTSFMKQSA-N 1 1 380.279 2.710 20 30 GFEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000885456958 663091058 /nfs/dbraw/zinc/09/10/58/663091058.db2.gz JUHOPCNMJNTEBL-KGLIPLIRSA-N 1 1 398.326 2.568 20 30 GFEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2nc(Cl)c(C#N)s2)[C@@H](C)C1 ZINC000888412476 663195808 /nfs/dbraw/zinc/19/58/08/663195808.db2.gz LJROTKZKMPKCRK-RYUDHWBXSA-N 1 1 385.921 2.927 20 30 GFEDMO N#Cc1csc(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000892511626 663376300 /nfs/dbraw/zinc/37/63/00/663376300.db2.gz HDYKOOULRWCION-CYBMUJFWSA-N 1 1 375.523 2.788 20 30 GFEDMO C[C@]1(NS(=O)(=O)Cc2csc(C#N)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000916726932 664469846 /nfs/dbraw/zinc/46/98/46/664469846.db2.gz HPWQWWXBESHEFE-SFHVURJKSA-N 1 1 375.519 2.704 20 30 GFEDMO Cc1cccc(C[N@H+]2CC[C@@H](NS(=O)(=O)Cc3csc(C#N)c3)C2)c1 ZINC000918838979 664505545 /nfs/dbraw/zinc/50/55/45/664505545.db2.gz OYMVNDQHQNGMQX-QGZVFWFLSA-N 1 1 375.519 2.622 20 30 GFEDMO N#Cc1ccc(Br)c(C[NH2+]Cc2ccnc(N3CCOCC3)c2)c1 ZINC000921522550 664552094 /nfs/dbraw/zinc/55/20/94/664552094.db2.gz RJHFDODSCAIREM-UHFFFAOYSA-N 1 1 387.281 2.842 20 30 GFEDMO CN(C(=O)Nc1ccc(C#N)cc1I)[C@@H]1CCC[N@@H+](C)C1 ZINC000932547384 664825306 /nfs/dbraw/zinc/82/53/06/664825306.db2.gz KCVCWUGOHARZLH-GFCCVEGCSA-N 1 1 398.248 2.721 20 30 GFEDMO N#Cc1nc(Cl)c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1C#N ZINC001164629336 719078919 /nfs/dbraw/zinc/07/89/19/719078919.db2.gz XKVCDQAFHQKRRK-YJBOKZPZSA-N 1 1 378.867 2.974 20 30 GFEDMO N#Cc1c[nH]c2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c12 ZINC001164697689 719885925 /nfs/dbraw/zinc/88/59/25/719885925.db2.gz CZUDKDAJZFJTQW-UHFFFAOYSA-N 1 1 394.504 2.762 20 30 GFEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc(Cl)c3C#N)CC[C@@H]21 ZINC001164836108 720520157 /nfs/dbraw/zinc/52/01/57/720520157.db2.gz MPUAPGZFGIWROH-VYDXJSESSA-N 1 1 385.903 2.576 20 30 GFEDMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1C#N ZINC001164866308 721050975 /nfs/dbraw/zinc/05/09/75/721050975.db2.gz DVHZAZQKHGBFFF-SJORKVTESA-N 1 1 383.883 2.790 20 30 GFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)c(C#N)cn1)CC2 ZINC001164787833 721457902 /nfs/dbraw/zinc/45/79/02/721457902.db2.gz SOSHBDKSYZBULT-OAQYLSRUSA-N 1 1 398.551 2.996 20 30 GFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164799920 721530854 /nfs/dbraw/zinc/53/08/54/721530854.db2.gz CCRZNMDWNGAKFN-GUDVDZBRSA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164799920 721530857 /nfs/dbraw/zinc/53/08/57/721530857.db2.gz CCRZNMDWNGAKFN-GUDVDZBRSA-N 1 1 383.883 2.870 20 30 GFEDMO Cc1nc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1C#N ZINC001164808739 721556503 /nfs/dbraw/zinc/55/65/03/721556503.db2.gz VNSZVZAQTGUHOE-FGTMMUONSA-N 1 1 398.898 2.573 20 30 GFEDMO Cc1nc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1C#N ZINC001164808739 721556507 /nfs/dbraw/zinc/55/65/07/721556507.db2.gz VNSZVZAQTGUHOE-FGTMMUONSA-N 1 1 398.898 2.573 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(C#N)c[nH]c3n2)[C@@H]2CCCO[C@H]21 ZINC001164801108 721560601 /nfs/dbraw/zinc/56/06/01/721560601.db2.gz GIZQOIYREXGGPM-SFHLNBCPSA-N 1 1 388.475 2.698 20 30 GFEDMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccc(F)cc2)ccc1C#N ZINC001164932701 721850501 /nfs/dbraw/zinc/85/05/01/721850501.db2.gz ZOYWFCJXRDXNLS-SFTDATJTSA-N 1 1 379.483 2.974 20 30 GFEDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccc(F)cc2)ccc1C#N ZINC001164932701 721850503 /nfs/dbraw/zinc/85/05/03/721850503.db2.gz ZOYWFCJXRDXNLS-SFTDATJTSA-N 1 1 379.483 2.974 20 30 GFEDMO N#C[C@H](c1ccc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)nn1)c1ccccc1F ZINC001164967449 722073540 /nfs/dbraw/zinc/07/35/40/722073540.db2.gz QMEHQRGSZJMLQC-SCTDSRPQSA-N 1 1 393.466 2.571 20 30 GFEDMO N#Cc1cc(Cl)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982777 722134007 /nfs/dbraw/zinc/13/40/07/722134007.db2.gz SIJUNJBGLUIKBU-QFBILLFUSA-N 1 1 383.883 2.729 20 30 GFEDMO CCCNC(=O)C[NH+]1CCC(Nc2ccc(Br)cc2C#N)CC1 ZINC000121863282 551244226 /nfs/dbraw/zinc/24/42/26/551244226.db2.gz WPWKYCXMYUOUSO-UHFFFAOYSA-N 1 1 379.302 2.723 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](C)CCC(=O)NC)cc1OCC ZINC000179408857 552192301 /nfs/dbraw/zinc/19/23/01/552192301.db2.gz MPVASFOYEXRSAO-UHFFFAOYSA-N 1 1 385.302 2.981 20 30 GFEDMO CCOC(=O)CC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181436472 552256701 /nfs/dbraw/zinc/25/67/01/552256701.db2.gz MEVNPTJIJBKEKW-MRXNPFEDSA-N 1 1 380.286 2.585 20 30 GFEDMO C=CC[C@@H](CO)NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000183752536 552318746 /nfs/dbraw/zinc/31/87/46/552318746.db2.gz ORWBLKBVOMFUJQ-KRWDZBQOSA-N 1 1 396.329 2.650 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000184331761 552332882 /nfs/dbraw/zinc/33/28/82/552332882.db2.gz HWQAUUAAWOWMJY-AWEZNQCLSA-N 1 1 375.416 2.531 20 30 GFEDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1cccs1 ZINC000369540952 563216036 /nfs/dbraw/zinc/21/60/36/563216036.db2.gz QYISFIWLUZNGFA-YVEFUNNKSA-N 1 1 379.482 2.730 20 30 GFEDMO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000369540771 563216534 /nfs/dbraw/zinc/21/65/34/563216534.db2.gz QERFWUPAAMZRTK-CRAIPNDOSA-N 1 1 375.519 2.900 20 30 GFEDMO C[C@H](CNc1c(C#N)cnc2c(Br)cccc21)[NH+]1CCN(C)CC1 ZINC000281606241 563380433 /nfs/dbraw/zinc/38/04/33/563380433.db2.gz IQRGDILLFPDZTE-CYBMUJFWSA-N 1 1 388.313 2.917 20 30 GFEDMO CC(C)N1CC[NH+]([C@H]2CCN(Cc3ccc(Br)cc3C#N)C2)CC1 ZINC000376546652 563446279 /nfs/dbraw/zinc/44/62/79/563446279.db2.gz QKGFXTWXNWILED-IBGZPJMESA-N 1 1 391.357 2.921 20 30 GFEDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000329274597 563477646 /nfs/dbraw/zinc/47/76/46/563477646.db2.gz BFBIWHLRMLATOE-CYBMUJFWSA-N 1 1 384.311 2.661 20 30 GFEDMO O=C(CNC(=O)c1ccc(Br)cc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000329930723 563491786 /nfs/dbraw/zinc/49/17/86/563491786.db2.gz ORERKADAZUHACK-HUUCEWRRSA-N 1 1 380.286 2.762 20 30 GFEDMO C[N@H+]1CCO[C@H]2CCN(c3c(C#N)cnc4c(Br)cccc43)C[C@@H]21 ZINC000284966677 563497620 /nfs/dbraw/zinc/49/76/20/563497620.db2.gz KKVUVAULIIXISC-HOTGVXAUSA-N 1 1 387.281 2.778 20 30 GFEDMO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCc2cccc(Br)c2C1 ZINC000330194167 563498454 /nfs/dbraw/zinc/49/84/54/563498454.db2.gz OPAFTYPRAWSREA-CYBMUJFWSA-N 1 1 375.270 2.933 20 30 GFEDMO C[C@@H]1CN(C(=O)NCc2ccsc2Br)CC[N@H+]1CC(C)(C)O ZINC000330451267 563506283 /nfs/dbraw/zinc/50/62/83/563506283.db2.gz UMKRSOMBQFPZCX-LLVKDONJSA-N 1 1 390.347 2.702 20 30 GFEDMO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(n3cc(Cl)cn3)CC2)C1=O ZINC000378589101 563511719 /nfs/dbraw/zinc/51/17/19/563511719.db2.gz NMQIWIYVGTYACZ-OAHLLOKOSA-N 1 1 375.885 2.912 20 30 GFEDMO COC(=O)c1cccc(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1Br ZINC000331160567 563537694 /nfs/dbraw/zinc/53/76/94/563537694.db2.gz RCPAJTCINQDPOQ-WDEREUQCSA-N 1 1 384.274 2.806 20 30 GFEDMO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409589489 563566433 /nfs/dbraw/zinc/56/64/33/563566433.db2.gz RRWGLDRWEBRYRB-GFCCVEGCSA-N 1 1 375.416 2.730 20 30 GFEDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000333564807 563635869 /nfs/dbraw/zinc/63/58/69/563635869.db2.gz OQWJLSMBVAOCFM-YOEHRIQHSA-N 1 1 392.297 2.642 20 30 GFEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cccc(C#N)c2Br)C[C@H](C)O1 ZINC000448621800 563899329 /nfs/dbraw/zinc/89/93/29/563899329.db2.gz MOEVWWAIQHNCDE-BETUJISGSA-N 1 1 394.313 2.938 20 30 GFEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cccc(C#N)c2Br)C[C@H](C)O1 ZINC000448621800 563899331 /nfs/dbraw/zinc/89/93/31/563899331.db2.gz MOEVWWAIQHNCDE-BETUJISGSA-N 1 1 394.313 2.938 20 30 GFEDMO CC[N@H+]1CCC[C@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449813282 564203055 /nfs/dbraw/zinc/20/30/55/564203055.db2.gz GZHSFBZJDBZHIC-CYBMUJFWSA-N 1 1 380.286 2.548 20 30 GFEDMO CC[N@H+]1CC[C@H](N(C)C(=O)COc2cccc(Br)c2C#N)[C@@H](C)C1 ZINC000449988518 564212708 /nfs/dbraw/zinc/21/27/08/564212708.db2.gz SKPYUUHDCIZWHV-BBRMVZONSA-N 1 1 394.313 2.888 20 30 GFEDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450053908 564215713 /nfs/dbraw/zinc/21/57/13/564215713.db2.gz UKEZMIKZMZAFRU-HUUCEWRRSA-N 1 1 392.297 2.785 20 30 GFEDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)COc1cccc(Br)c1C#N ZINC000450054612 564215814 /nfs/dbraw/zinc/21/58/14/564215814.db2.gz YLDMOQDATMDHDO-UONOGXRCSA-N 1 1 392.297 2.785 20 30 GFEDMO C=CC[N@@H+](CC(=O)N1CCN(Cc2ccc(Br)s2)CC1)C1CC1 ZINC000540054478 564238044 /nfs/dbraw/zinc/23/80/44/564238044.db2.gz SBRKXTOKNHXKSA-UHFFFAOYSA-N 1 1 398.370 2.805 20 30 GFEDMO C=CC[N@H+](CC(=O)N1CCN(Cc2ccc(Br)s2)CC1)C1CC1 ZINC000540054478 564238047 /nfs/dbraw/zinc/23/80/47/564238047.db2.gz SBRKXTOKNHXKSA-UHFFFAOYSA-N 1 1 398.370 2.805 20 30 GFEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CSC[C@@H]1C[N@H+](C)CCO1 ZINC000564957763 564259117 /nfs/dbraw/zinc/25/91/17/564259117.db2.gz BXIFWGCGLBSSBH-CABCVRRESA-N 1 1 379.551 2.941 20 30 GFEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CSC[C@@H]1C[N@@H+](C)CCO1 ZINC000564957763 564259121 /nfs/dbraw/zinc/25/91/21/564259121.db2.gz BXIFWGCGLBSSBH-CABCVRRESA-N 1 1 379.551 2.941 20 30 GFEDMO N#CC1(F)CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000510955225 564350770 /nfs/dbraw/zinc/35/07/70/564350770.db2.gz ZUWVKEOQXZJVRY-CYBMUJFWSA-N 1 1 375.213 2.656 20 30 GFEDMO C[C@H]1CN(C(=O)COc2cccc(Br)c2C#N)CC[N@H+](C2CC2)C1 ZINC000452164121 564396824 /nfs/dbraw/zinc/39/68/24/564396824.db2.gz NJYHKGOSAGCJLV-CYBMUJFWSA-N 1 1 392.297 2.642 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)c1ccc(Cl)cc1 ZINC000549234532 564588934 /nfs/dbraw/zinc/58/89/34/564588934.db2.gz KOPRLNWLLCMSPI-INIZCTEOSA-N 1 1 381.860 2.932 20 30 GFEDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)COc2cccc(Br)c2C#N)C1 ZINC000457101327 564646787 /nfs/dbraw/zinc/64/67/87/564646787.db2.gz XZGFWQSLTXQAHV-CYBMUJFWSA-N 1 1 380.286 2.641 20 30 GFEDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2cccc(Br)c2C#N)CC1 ZINC000574008869 564664448 /nfs/dbraw/zinc/66/44/48/564664448.db2.gz MIEXCSKPBFLAGG-HNNXBMFYSA-N 1 1 377.330 2.927 20 30 GFEDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2ccc(C#N)c(Br)c2)C[C@H](C)O1 ZINC000487990096 564701991 /nfs/dbraw/zinc/70/19/91/564701991.db2.gz FZIKQTGAUQUXIP-BETUJISGSA-N 1 1 395.301 2.894 20 30 GFEDMO C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccc(C#N)c(Br)c2)C[C@H](C)O1 ZINC000487990096 564701995 /nfs/dbraw/zinc/70/19/95/564701995.db2.gz FZIKQTGAUQUXIP-BETUJISGSA-N 1 1 395.301 2.894 20 30 GFEDMO C[C@@H]1C[N@@H+](C[C@H](O)CSc2nc(C(F)(F)F)ccc2C#N)C[C@H](C)O1 ZINC000488583626 564715292 /nfs/dbraw/zinc/71/52/92/564715292.db2.gz PTBXKXOUQLCGKM-LOWVWBTDSA-N 1 1 375.416 2.534 20 30 GFEDMO C[C@@H]1C[N@H+](C[C@H](O)CSc2nc(C(F)(F)F)ccc2C#N)C[C@H](C)O1 ZINC000488583626 564715297 /nfs/dbraw/zinc/71/52/97/564715297.db2.gz PTBXKXOUQLCGKM-LOWVWBTDSA-N 1 1 375.416 2.534 20 30 GFEDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000580796562 564773718 /nfs/dbraw/zinc/77/37/18/564773718.db2.gz RSADLFXMABMKFD-LBPRGKRZSA-N 1 1 388.331 2.719 20 30 GFEDMO N#Cc1ccccc1OCC[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000533371082 564961228 /nfs/dbraw/zinc/96/12/28/564961228.db2.gz ZMTZEBQJFDKWSJ-UHFFFAOYSA-N 1 1 387.281 2.917 20 30 GFEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000468982435 565001744 /nfs/dbraw/zinc/00/17/44/565001744.db2.gz OJGJWOIJMYKOAH-ZDUSSCGKSA-N 1 1 380.286 2.711 20 30 GFEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000468982435 565001747 /nfs/dbraw/zinc/00/17/47/565001747.db2.gz OJGJWOIJMYKOAH-ZDUSSCGKSA-N 1 1 380.286 2.711 20 30 GFEDMO CC(C)[N@@H+](C)CCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592750608 565292947 /nfs/dbraw/zinc/29/29/47/565292947.db2.gz AUWNYWAMVVXWRH-UHFFFAOYSA-N 1 1 393.329 2.603 20 30 GFEDMO N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594198181 565378846 /nfs/dbraw/zinc/37/88/46/565378846.db2.gz SUVMHRJCHAQDSM-DLBZAZTESA-N 1 1 376.298 2.996 20 30 GFEDMO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594485124 565394997 /nfs/dbraw/zinc/39/49/97/565394997.db2.gz WVLGEAUDYOYFRO-CABCVRRESA-N 1 1 398.326 2.616 20 30 GFEDMO COc1ccc(Br)c(C[N@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)c1 ZINC000599388660 565674716 /nfs/dbraw/zinc/67/47/16/565674716.db2.gz LTLONCBIDWKUOB-HNNXBMFYSA-N 1 1 397.313 2.961 20 30 GFEDMO COc1ccc(Br)c(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)c1 ZINC000599388660 565674720 /nfs/dbraw/zinc/67/47/20/565674720.db2.gz LTLONCBIDWKUOB-HNNXBMFYSA-N 1 1 397.313 2.961 20 30 GFEDMO C[N@H+]1CCCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000599414576 565676892 /nfs/dbraw/zinc/67/68/92/565676892.db2.gz GLINUMPMLZEVIM-LBPRGKRZSA-N 1 1 375.416 2.587 20 30 GFEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000599651403 565695211 /nfs/dbraw/zinc/69/52/11/565695211.db2.gz HEMZFPDJSLSKBI-JSGCOSHPSA-N 1 1 380.286 2.639 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccsc2C(F)(F)F)nc1 ZINC000601969574 565810227 /nfs/dbraw/zinc/81/02/27/565810227.db2.gz WOZGARHQSVASCS-UHFFFAOYSA-N 1 1 375.397 2.597 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cccc(F)c1 ZINC000603660743 565913064 /nfs/dbraw/zinc/91/30/64/565913064.db2.gz WCTQFDGVVVOHSH-QGZVFWFLSA-N 1 1 381.860 2.932 20 30 GFEDMO COc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1OCCCC#N ZINC000737094945 598315149 /nfs/dbraw/zinc/31/51/49/598315149.db2.gz DHQVTZUPVYZHRW-UHFFFAOYSA-N 1 1 396.426 2.987 20 30 GFEDMO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000735418445 599505561 /nfs/dbraw/zinc/50/55/61/599505561.db2.gz FDCADBKFXMPYTB-LJQANCHMSA-N 1 1 397.527 2.829 20 30 GFEDMO CC(C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820117255 599636168 /nfs/dbraw/zinc/63/61/68/599636168.db2.gz XKZITZHSZGGXTR-UHFFFAOYSA-N 1 1 389.463 2.978 20 30 GFEDMO CN1CCC([NH+]2CCC(CC[N@@H+](C)[C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)CC1 ZINC000830923354 601323737 /nfs/dbraw/zinc/32/37/37/601323737.db2.gz IBGZSVXZZTXDKS-JOCHJYFZSA-N 1 1 398.551 2.812 20 30 GFEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826385575 608462683 /nfs/dbraw/zinc/46/26/83/608462683.db2.gz RXIOXODVOCWYCP-UHFFFAOYSA-N 1 1 399.458 2.856 20 30 GFEDMO N#CCCC[C@H]([NH3+])c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000822946615 660358662 /nfs/dbraw/zinc/35/86/62/660358662.db2.gz GAUAWHQOYYBJHR-LBPRGKRZSA-N 1 1 393.241 2.888 20 30 GFEDMO COC(=O)C1(C#N)CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000831695403 660720025 /nfs/dbraw/zinc/72/00/25/660720025.db2.gz PVASWZBBXRTBQC-UHFFFAOYSA-N 1 1 394.269 2.556 20 30 GFEDMO COC(=O)C1(C#N)CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000831687902 660719816 /nfs/dbraw/zinc/71/98/16/660719816.db2.gz ZHZQDMIPASDFHK-ZDUSSCGKSA-N 1 1 387.263 2.512 20 30 GFEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832671940 660793794 /nfs/dbraw/zinc/79/37/94/660793794.db2.gz GUHIQJGFQPAXNN-MZMPZRCHSA-N 1 1 396.329 2.857 20 30 GFEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832671940 660793798 /nfs/dbraw/zinc/79/37/98/660793798.db2.gz GUHIQJGFQPAXNN-MZMPZRCHSA-N 1 1 396.329 2.857 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000836418730 660904586 /nfs/dbraw/zinc/90/45/86/660904586.db2.gz LVYQUWBRLSGITN-CYBMUJFWSA-N 1 1 382.302 2.773 20 30 GFEDMO Cn1cc[nH+]c1CC1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000128647491 654849842 /nfs/dbraw/zinc/84/98/42/654849842.db2.gz ZKPBIUPJDOZUKH-UHFFFAOYSA-N 1 1 378.885 2.589 20 30 GFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1nc2ccc(Br)cc2o1 ZINC000578587740 655482280 /nfs/dbraw/zinc/48/22/80/655482280.db2.gz GDBXKDMCOSUODB-UHFFFAOYSA-N 1 1 389.257 2.662 20 30 GFEDMO N#Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1Br ZINC000580035181 655507131 /nfs/dbraw/zinc/50/71/31/655507131.db2.gz NKMQGNRWTVGXHB-CVEARBPZSA-N 1 1 392.297 2.694 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000729808991 655568693 /nfs/dbraw/zinc/56/86/93/655568693.db2.gz IBUJRTHTGWFBFG-JSGCOSHPSA-N 1 1 384.245 2.996 20 30 GFEDMO C#CCC[NH+]1CCN(C(=O)c2cc3c([nH]2)c(Br)ccc3OC)CC1 ZINC000744366168 655739400 /nfs/dbraw/zinc/73/94/00/655739400.db2.gz DXDGLGCRDCPCBT-UHFFFAOYSA-N 1 1 390.281 2.720 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000759266674 655951633 /nfs/dbraw/zinc/95/16/33/655951633.db2.gz NOGQKGWKGVTHBT-SFHVURJKSA-N 1 1 391.309 2.917 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000759266674 655951636 /nfs/dbraw/zinc/95/16/36/655951636.db2.gz NOGQKGWKGVTHBT-SFHVURJKSA-N 1 1 391.309 2.917 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000773911688 656477007 /nfs/dbraw/zinc/47/70/07/656477007.db2.gz KDZOZGSEVBRWAB-JQFCIGGWSA-N 1 1 379.298 2.739 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000773911688 656477012 /nfs/dbraw/zinc/47/70/12/656477012.db2.gz KDZOZGSEVBRWAB-JQFCIGGWSA-N 1 1 379.298 2.739 20 30 GFEDMO C[C@H]1C[NH+]=C(NN=Cc2cc(Br)ccc2OCc2ccccn2)N1 ZINC000779804300 656944003 /nfs/dbraw/zinc/94/40/03/656944003.db2.gz CQMDBSNRWKHDON-LBPRGKRZSA-N 1 1 388.269 2.694 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000793140249 658362744 /nfs/dbraw/zinc/36/27/44/658362744.db2.gz KOJPDTSTKRYPMQ-LBPRGKRZSA-N 1 1 381.226 2.920 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000793140249 658362760 /nfs/dbraw/zinc/36/27/60/658362760.db2.gz KOJPDTSTKRYPMQ-LBPRGKRZSA-N 1 1 381.226 2.920 20 30 GFEDMO Brc1ccc2nc(C=NNCCC[NH+]3CCOCC3)sc2c1 ZINC000799491173 659194634 /nfs/dbraw/zinc/19/46/34/659194634.db2.gz FBVWVHBFSOAPNB-UHFFFAOYSA-N 1 1 383.315 2.705 20 30 GFEDMO C#CC[N@@H+](CCN1CCO[C@@H](C)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000800344413 659302835 /nfs/dbraw/zinc/30/28/35/659302835.db2.gz GSFGLQHMFAESIQ-YJBOKZPZSA-N 1 1 393.325 2.929 20 30 GFEDMO C#CC[N@H+](CCN1CCO[C@@H](C)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000800344413 659302837 /nfs/dbraw/zinc/30/28/37/659302837.db2.gz GSFGLQHMFAESIQ-YJBOKZPZSA-N 1 1 393.325 2.929 20 30 GFEDMO C#CC[N@@H+](CCN1CCO[C@H](C)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000800344409 659303008 /nfs/dbraw/zinc/30/30/08/659303008.db2.gz GSFGLQHMFAESIQ-CRAIPNDOSA-N 1 1 393.325 2.929 20 30 GFEDMO C#CC[N@H+](CCN1CCO[C@H](C)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000800344409 659303015 /nfs/dbraw/zinc/30/30/15/659303015.db2.gz GSFGLQHMFAESIQ-CRAIPNDOSA-N 1 1 393.325 2.929 20 30 GFEDMO C[C@H](C#N)OCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000801940899 659435239 /nfs/dbraw/zinc/43/52/39/659435239.db2.gz SXSOROLZKIIXHC-RHSMWYFYSA-N 1 1 377.286 2.560 20 30 GFEDMO C#CC[C@@H]1NC(=O)N(C2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1=O ZINC000842243397 661329901 /nfs/dbraw/zinc/32/99/01/661329901.db2.gz GYVDRQNIRFWSFX-INIZCTEOSA-N 1 1 380.275 2.902 20 30 GFEDMO C#CCN(C[C@H](O)C[N@H+](C)CC)[C@H]1CCOc2ccc(Br)cc21 ZINC000846804809 661566532 /nfs/dbraw/zinc/56/65/32/661566532.db2.gz PMJHFVNSRUAMBN-WBVHZDCISA-N 1 1 381.314 2.521 20 30 GFEDMO C#CCC[N@@H+](CCOC)Cn1nc(-c2ccc(Br)cc2)nc1C ZINC000853621042 661895361 /nfs/dbraw/zinc/89/53/61/661895361.db2.gz NVLUCZLTAGLJTA-UHFFFAOYSA-N 1 1 377.286 2.945 20 30 GFEDMO C#CCC[N@H+](CCOC)Cn1nc(-c2ccc(Br)cc2)nc1C ZINC000853621042 661895362 /nfs/dbraw/zinc/89/53/62/661895362.db2.gz NVLUCZLTAGLJTA-UHFFFAOYSA-N 1 1 377.286 2.945 20 30 GFEDMO N#Cc1ncc(Br)cc1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000853795798 661901443 /nfs/dbraw/zinc/90/14/43/661901443.db2.gz PEOIDIMQNJIXTL-INIZCTEOSA-N 1 1 387.281 2.894 20 30 GFEDMO C#CCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000859369251 662157077 /nfs/dbraw/zinc/15/70/77/662157077.db2.gz YQKMNZDHHNHNPX-INIZCTEOSA-N 1 1 388.265 2.940 20 30 GFEDMO COCO[C@H](C)c1cc(F)c(C=NN2CC[NH+](C)CC2)cc1Br ZINC000863065200 662311216 /nfs/dbraw/zinc/31/12/16/662311216.db2.gz ZZMYTJFXCWPEKW-GFCCVEGCSA-N 1 1 388.281 2.851 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867807838 662578003 /nfs/dbraw/zinc/57/80/03/662578003.db2.gz DYUDBMQMOXPMLT-ZBFHGGJFSA-N 1 1 375.519 2.796 20 30 GFEDMO O=C1[C@@H]([NH2+]Cc2cc(Br)c(Br)s2)CCCN1O ZINC000895158412 663501441 /nfs/dbraw/zinc/50/14/41/663501441.db2.gz ZWVZHLDLYQCGQI-QMMMGPOBSA-N 1 1 384.093 2.743 20 30 GFEDMO Cn1nc(C(F)(F)F)c(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1Cl ZINC000895678016 663522839 /nfs/dbraw/zinc/52/28/39/663522839.db2.gz RFWYEHBIBHFLJO-YFKPBYRVSA-N 1 1 375.647 2.740 20 30 GFEDMO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000913901068 664364423 /nfs/dbraw/zinc/36/44/23/664364423.db2.gz NTMVYAGFUGHMRB-GOSISDBHSA-N 1 1 377.535 2.959 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)Cc2ccc(F)cc2Br)CC1 ZINC000914070959 664374314 /nfs/dbraw/zinc/37/43/14/664374314.db2.gz AIPLQQGVNVCUAU-UHFFFAOYSA-N 1 1 391.306 2.658 20 30 GFEDMO C[C@@H]1C[C@H](NS(=O)(=O)Cc2csc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000914244018 664389663 /nfs/dbraw/zinc/38/96/63/664389663.db2.gz YRUOIOZYCALIRE-PBHICJAKSA-N 1 1 375.519 2.702 20 30 GFEDMO C[N@@H+]1CC[C@H](CNS(=O)(=O)CC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000914306532 664397457 /nfs/dbraw/zinc/39/74/57/664397457.db2.gz NWSSPJDZKWFZBP-CZUORRHYSA-N 1 1 387.908 2.941 20 30 GFEDMO C[N@H+]1CC[C@H](CNS(=O)(=O)CC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000914306532 664397461 /nfs/dbraw/zinc/39/74/61/664397461.db2.gz NWSSPJDZKWFZBP-CZUORRHYSA-N 1 1 387.908 2.941 20 30 GFEDMO Cc1ccc(C[N@H+]2CC[C@H](NS(=O)(=O)Cc3csc(C#N)c3)C2)cc1 ZINC000918871688 664505887 /nfs/dbraw/zinc/50/58/87/664505887.db2.gz HWMBJBHQUKJQMX-KRWDZBQOSA-N 1 1 375.519 2.622 20 30 GFEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)[C@H](c3ccc(Br)s3)N(C)C2=O)C1 ZINC000925325972 664670539 /nfs/dbraw/zinc/67/05/39/664670539.db2.gz OVGYNDICGRCYMW-FZMZJTMJSA-N 1 1 396.310 2.543 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)[C@H](c3ccc(Br)s3)N(C)C2=O)C1 ZINC000925325972 664670541 /nfs/dbraw/zinc/67/05/41/664670541.db2.gz OVGYNDICGRCYMW-FZMZJTMJSA-N 1 1 396.310 2.543 20 30 GFEDMO N#Cc1ccc(C[NH+]2CCC(CN3CCNC3=O)CC2)c(Br)c1 ZINC000933586786 664869666 /nfs/dbraw/zinc/86/96/66/664869666.db2.gz UIUZATYZHDHMRC-UHFFFAOYSA-N 1 1 377.286 2.558 20 30 GFEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2nc(C#N)c(Cl)s2)CC[N@H+]1C ZINC001046125101 665076910 /nfs/dbraw/zinc/07/69/10/665076910.db2.gz CQFAZGXFIATFGE-FDYHWXHSSA-N 1 1 381.933 2.848 20 30 GFEDMO COc1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C#N ZINC001164842568 720530729 /nfs/dbraw/zinc/53/07/29/720530729.db2.gz YJORWPKITZWMKK-ZHALLVOQSA-N 1 1 380.496 2.536 20 30 GFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(C)c3C#N)C2)C1 ZINC001164778462 721337429 /nfs/dbraw/zinc/33/74/29/721337429.db2.gz XGDVJIVJBBOTOB-QFIPXVFZSA-N 1 1 395.507 2.986 20 30 GFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(C)c3C#N)C2)C1 ZINC001164778462 721337431 /nfs/dbraw/zinc/33/74/31/721337431.db2.gz XGDVJIVJBBOTOB-QFIPXVFZSA-N 1 1 395.507 2.986 20 30 GFEDMO N#Cc1cc(C#N)c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164902554 721531598 /nfs/dbraw/zinc/53/15/98/721531598.db2.gz AIADZMSGYFBNQL-WMZOPIPTSA-N 1 1 397.841 2.959 20 30 GFEDMO N#Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164953611 722016345 /nfs/dbraw/zinc/01/63/45/722016345.db2.gz VUIBPRHJRFXTBJ-UHFFFAOYSA-N 1 1 378.436 2.749 20 30 GFEDMO Cc1cc(C#N)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164972434 722111129 /nfs/dbraw/zinc/11/11/29/722111129.db2.gz FHYSIVXSDNBJTJ-TZIWHRDSSA-N 1 1 377.492 2.692 20 30 GFEDMO C[N@H+](CC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H]1CCSC1 ZINC000541139735 532748798 /nfs/dbraw/zinc/74/87/98/532748798.db2.gz FIUDYBZAMRUMBC-AWEZNQCLSA-N 1 1 375.885 2.773 20 30 GFEDMO C[N@@H+](CC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H]1CCSC1 ZINC000541139735 532748802 /nfs/dbraw/zinc/74/88/02/532748802.db2.gz FIUDYBZAMRUMBC-AWEZNQCLSA-N 1 1 375.885 2.773 20 30 GFEDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000156986970 551531728 /nfs/dbraw/zinc/53/17/28/551531728.db2.gz ZOFOVXGHJVGPST-GFCCVEGCSA-N 1 1 375.416 2.587 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000173201172 552079243 /nfs/dbraw/zinc/07/92/43/552079243.db2.gz OGPIOKZGKGHYLW-UHFFFAOYSA-N 1 1 377.279 2.517 20 30 GFEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1n[nH]c(=S)s1 ZINC000175014650 552113713 /nfs/dbraw/zinc/11/37/13/552113713.db2.gz MKDILDNMWNLVHQ-UHFFFAOYSA-N 1 1 393.563 2.755 20 30 GFEDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177659672 552156442 /nfs/dbraw/zinc/15/64/42/552156442.db2.gz KJTRRMGIYGPXOL-LBPRGKRZSA-N 1 1 375.416 2.539 20 30 GFEDMO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180462622 552227077 /nfs/dbraw/zinc/22/70/77/552227077.db2.gz NULYPUPCTFYGEF-LBPRGKRZSA-N 1 1 396.285 2.633 20 30 GFEDMO COC(=O)CCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181437721 552256687 /nfs/dbraw/zinc/25/66/87/552256687.db2.gz REJYBPXSUQUJMC-INIZCTEOSA-N 1 1 380.286 2.585 20 30 GFEDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000570436753 564505372 /nfs/dbraw/zinc/50/53/72/564505372.db2.gz RSADLFXMABMKFD-GFCCVEGCSA-N 1 1 388.331 2.719 20 30 GFEDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000369538089 563216028 /nfs/dbraw/zinc/21/60/28/563216028.db2.gz ALOSPXCMHLURJV-FUHWJXTLSA-N 1 1 375.519 2.732 20 30 GFEDMO C[C@H](C[S@@](C)=O)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000299029863 563373321 /nfs/dbraw/zinc/37/33/21/563373321.db2.gz RKBFLFFUJZMXPC-FUIYZNBFSA-N 1 1 381.567 2.772 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](CC)[C@@H]2CCNC2=O)cc1OC ZINC000281768573 563386857 /nfs/dbraw/zinc/38/68/57/563386857.db2.gz LZTPWRRTVZAIGD-CQSZACIVSA-N 1 1 383.286 2.733 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+](CC)[C@@H]2CCNC2=O)cc1OC ZINC000281768573 563386860 /nfs/dbraw/zinc/38/68/60/563386860.db2.gz LZTPWRRTVZAIGD-CQSZACIVSA-N 1 1 383.286 2.733 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](CC)[C@H]2CCNC2=O)cc1OC ZINC000281768567 563387000 /nfs/dbraw/zinc/38/70/00/563387000.db2.gz LZTPWRRTVZAIGD-AWEZNQCLSA-N 1 1 383.286 2.733 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+](CC)[C@H]2CCNC2=O)cc1OC ZINC000281768567 563387002 /nfs/dbraw/zinc/38/70/02/563387002.db2.gz LZTPWRRTVZAIGD-AWEZNQCLSA-N 1 1 383.286 2.733 20 30 GFEDMO CCN1CC[NH+]([C@@H]2CCN(Cc3ccc(Br)cc3C#N)C2)CC1 ZINC000376545452 563445930 /nfs/dbraw/zinc/44/59/30/563445930.db2.gz JVUUFLFBLVZXOF-GOSISDBHSA-N 1 1 377.330 2.533 20 30 GFEDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000329031852 563470633 /nfs/dbraw/zinc/47/06/33/563470633.db2.gz XKAWCQFYNDIZPH-DOMZBBRYSA-N 1 1 395.301 2.771 20 30 GFEDMO CC[C@H]1CN(C(=O)Nc2ccc(F)c(Br)c2)CC[N@H+]1C[C@@H](C)O ZINC000330639166 563514951 /nfs/dbraw/zinc/51/49/51/563514951.db2.gz DKVHFQYXKZHHOX-YPMHNXCESA-N 1 1 388.281 2.911 20 30 GFEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)C1CC1 ZINC000435444046 563651091 /nfs/dbraw/zinc/65/10/91/563651091.db2.gz USFQQQTWDZNQRV-KRWDZBQOSA-N 1 1 375.519 2.809 20 30 GFEDMO C[C@@H](C#N)S(=O)(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000416369835 563818203 /nfs/dbraw/zinc/81/82/03/563818203.db2.gz JTXDRXSGFMPMNN-LBPRGKRZSA-N 1 1 375.416 2.501 20 30 GFEDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)COc1cccc(Br)c1C#N ZINC000449881401 564208045 /nfs/dbraw/zinc/20/80/45/564208045.db2.gz DHYCVPLIZWEMKP-UONOGXRCSA-N 1 1 392.297 2.785 20 30 GFEDMO C[N@H+]1CCC[C@H]2CN(C(=O)COc3ccc(C#N)c(Br)c3)CC[C@@H]21 ZINC000450147833 564218895 /nfs/dbraw/zinc/21/88/95/564218895.db2.gz OICJITWDJZJFHP-YOEHRIQHSA-N 1 1 392.297 2.642 20 30 GFEDMO CCC[C@@H]1CN(C(=O)c2ccc(Br)cc2C#N)CC[N@H+]1CCOC ZINC000450512788 564236486 /nfs/dbraw/zinc/23/64/86/564236486.db2.gz SIYDWZNUDBTTDP-MRXNPFEDSA-N 1 1 394.313 2.894 20 30 GFEDMO CCC[N@@H+](C)[C@H](CNS(=O)(=O)N(CC)CCC#N)c1ccc(Cl)cc1 ZINC000509620751 564306257 /nfs/dbraw/zinc/30/62/57/564306257.db2.gz VRDNTEXJYIDJBG-QGZVFWFLSA-N 1 1 386.949 2.793 20 30 GFEDMO CC(C)[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000452105495 564393084 /nfs/dbraw/zinc/39/30/84/564393084.db2.gz OHJNLBJNVDCITF-ZDUSSCGKSA-N 1 1 375.416 2.680 20 30 GFEDMO C[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)CC[N@H+](C2CC2)C1 ZINC000452164122 564396892 /nfs/dbraw/zinc/39/68/92/564396892.db2.gz NJYHKGOSAGCJLV-ZDUSSCGKSA-N 1 1 392.297 2.642 20 30 GFEDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000515475213 564480214 /nfs/dbraw/zinc/48/02/14/564480214.db2.gz MEZODZXZPYCMKA-LBPRGKRZSA-N 1 1 377.432 2.976 20 30 GFEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487862174 564698206 /nfs/dbraw/zinc/69/82/06/564698206.db2.gz YYLBKTUAEAOPJU-HNNXBMFYSA-N 1 1 395.301 2.799 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000489848935 564755586 /nfs/dbraw/zinc/75/55/86/564755586.db2.gz RLFXSKXSLINZRW-QGZVFWFLSA-N 1 1 381.860 2.932 20 30 GFEDMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1ccsc1 ZINC000490411821 564770057 /nfs/dbraw/zinc/77/00/57/564770057.db2.gz SMVOFHAOTRIBSC-HNNXBMFYSA-N 1 1 376.869 2.631 20 30 GFEDMO Cc1c(Br)cc(C#N)c(=O)n1Cc1[nH+]ccn1CC(F)(F)F ZINC000460957639 564785507 /nfs/dbraw/zinc/78/55/07/564785507.db2.gz FUCRFCMMHRWGMK-UHFFFAOYSA-N 1 1 375.148 2.598 20 30 GFEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1cccc(S(N)(=O)=O)c1 ZINC000492580211 564803848 /nfs/dbraw/zinc/80/38/48/564803848.db2.gz CKVXBICCFPUGCW-LLVKDONJSA-N 1 1 394.294 2.819 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000581582628 564809362 /nfs/dbraw/zinc/80/93/62/564809362.db2.gz BRGMYHFPLPHGMZ-MRXNPFEDSA-N 1 1 381.860 2.932 20 30 GFEDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccsc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000593561031 565341735 /nfs/dbraw/zinc/34/17/35/565341735.db2.gz YLCQDGBQLVZFFG-GDBMZVCRSA-N 1 1 375.519 2.951 20 30 GFEDMO N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000593656308 565353854 /nfs/dbraw/zinc/35/38/54/565353854.db2.gz KELBIMQRQUEPHM-QGZVFWFLSA-N 1 1 376.298 2.996 20 30 GFEDMO N#Cc1ccc(OCC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1Br ZINC000594198937 565378262 /nfs/dbraw/zinc/37/82/62/565378262.db2.gz VVPZMAPWDNZMOG-IAGOWNOFSA-N 1 1 392.297 2.833 20 30 GFEDMO N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000594483739 565394611 /nfs/dbraw/zinc/39/46/11/565394611.db2.gz OSOUYMXFAJRXNM-CVEARBPZSA-N 1 1 398.326 2.616 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2csc(C(F)(F)F)c2)nc1 ZINC000600756136 565747979 /nfs/dbraw/zinc/74/79/79/565747979.db2.gz FFVYGFRGPZBZKQ-UHFFFAOYSA-N 1 1 375.397 2.597 20 30 GFEDMO C=CCCC[C@H](C)[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000823894519 608383992 /nfs/dbraw/zinc/38/39/92/608383992.db2.gz SAVFCEMGIHCDQK-AWEZNQCLSA-N 1 1 383.456 2.982 20 30 GFEDMO C#CCOc1ccc(C[N@H+](CCOC)Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000823856580 608566560 /nfs/dbraw/zinc/56/65/60/608566560.db2.gz UNJOOHZFCHCQAU-UHFFFAOYSA-N 1 1 377.448 2.527 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)NC1(c2cc(Br)ccc2OC)CC1 ZINC000827114307 660479536 /nfs/dbraw/zinc/47/95/36/660479536.db2.gz ICNJKMSTBJSKME-UHFFFAOYSA-N 1 1 394.313 2.701 20 30 GFEDMO C#C[C@@H](NC(=O)CCCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000833231168 660806516 /nfs/dbraw/zinc/80/65/16/660806516.db2.gz QVQQZJXAEBHLKK-QGZVFWFLSA-N 1 1 379.298 2.742 20 30 GFEDMO Cc1[nH+]ccn1C[C@H](C)OC(=O)COc1cccc(Br)c1C#N ZINC000835211021 660845031 /nfs/dbraw/zinc/84/50/31/660845031.db2.gz DEYICIBFMYVURG-NSHDSACASA-N 1 1 378.226 2.836 20 30 GFEDMO CC[NH+]=C(NCCc1ccc(Br)cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000176163766 655237925 /nfs/dbraw/zinc/23/79/25/655237925.db2.gz LFHFJUCUSNYKTG-SFHVURJKSA-N 1 1 391.357 2.903 20 30 GFEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000726483567 655535453 /nfs/dbraw/zinc/53/54/53/655535453.db2.gz XAJVXDVWGLUMKX-UHFFFAOYSA-N 1 1 379.961 2.866 20 30 GFEDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000726483567 655535454 /nfs/dbraw/zinc/53/54/54/655535454.db2.gz XAJVXDVWGLUMKX-UHFFFAOYSA-N 1 1 379.961 2.866 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000729809988 655568688 /nfs/dbraw/zinc/56/86/88/655568688.db2.gz QGTKNJIXVYUENZ-XJKSGUPXSA-N 1 1 378.881 2.784 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000729812348 655568938 /nfs/dbraw/zinc/56/89/38/655568938.db2.gz SOPYAIJPUPGHFY-QGZVFWFLSA-N 1 1 388.265 2.889 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000729812348 655568940 /nfs/dbraw/zinc/56/89/40/655568940.db2.gz SOPYAIJPUPGHFY-QGZVFWFLSA-N 1 1 388.265 2.889 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc(C)ccc1I ZINC000729812125 655568947 /nfs/dbraw/zinc/56/89/47/655568947.db2.gz MGRDCJFJDPIERN-CYBMUJFWSA-N 1 1 383.229 2.854 20 30 GFEDMO Brc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cc2c1OCCCO2 ZINC000753933194 655861078 /nfs/dbraw/zinc/86/10/78/655861078.db2.gz DBEDMNKNFBEXOG-ZIAGYGMSSA-N 1 1 393.285 2.804 20 30 GFEDMO S=C(NCCC[NH+]1CCOCC1)NN=C1CCSc2ccc(Cl)cc21 ZINC000767105286 656194166 /nfs/dbraw/zinc/19/41/66/656194166.db2.gz BBNZTKNYABGVIF-UHFFFAOYSA-N 1 1 398.985 2.726 20 30 GFEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cc2ccccc2s1 ZINC000780196032 656990659 /nfs/dbraw/zinc/99/06/59/656990659.db2.gz IGLXOWQWTFDBQJ-UHFFFAOYSA-N 1 1 376.551 2.812 20 30 GFEDMO C#CCOCCNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000784421417 657308401 /nfs/dbraw/zinc/30/84/01/657308401.db2.gz KTPPWVPLNSSORJ-UHFFFAOYSA-N 1 1 384.307 2.907 20 30 GFEDMO CC[N@H+]1CCC[C@H]1CNC(=S)NNc1cc(C#N)ccc1Br ZINC000849289267 661703201 /nfs/dbraw/zinc/70/32/01/661703201.db2.gz SYRKOXAIPIWDNT-LBPRGKRZSA-N 1 1 382.331 2.596 20 30 GFEDMO N#Cc1cc(CS(=O)(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cs1 ZINC000914114114 664377759 /nfs/dbraw/zinc/37/77/59/664377759.db2.gz PIGHVHXXLZNACE-KRWDZBQOSA-N 1 1 375.519 2.704 20 30 GFEDMO C#CCOc1ccc(Br)cc1CNC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000920957198 664534775 /nfs/dbraw/zinc/53/47/75/664534775.db2.gz OEKGRFDAEHCYSA-SFHVURJKSA-N 1 1 395.341 2.908 20 30 GFEDMO C#CCOc1ccc(Br)cc1CNC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000920957198 664534776 /nfs/dbraw/zinc/53/47/76/664534776.db2.gz OEKGRFDAEHCYSA-SFHVURJKSA-N 1 1 395.341 2.908 20 30 GFEDMO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1c(I)cnn1C ZINC000922320410 664594655 /nfs/dbraw/zinc/59/46/55/664594655.db2.gz OMVPPWCXGQFUKI-UHFFFAOYSA-N 1 1 380.233 2.803 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(Br)cc1Br ZINC000392756640 677410101 /nfs/dbraw/zinc/41/01/01/677410101.db2.gz IEGXMZYEZBVGPH-UHFFFAOYSA-N 1 1 388.103 2.897 20 30 GFEDMO N#Cc1nc(Cl)c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1C#N ZINC001164629332 719078962 /nfs/dbraw/zinc/07/89/62/719078962.db2.gz XKVCDQAFHQKRRK-MAUKXSAKSA-N 1 1 378.867 2.974 20 30 GFEDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)c(Cl)c(C)c1C#N)CC2 ZINC001164685978 719704726 /nfs/dbraw/zinc/70/47/26/719704726.db2.gz WBKKUPHHPRKBJP-UHFFFAOYSA-N 1 1 396.322 2.749 20 30 GFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C)nc1C#N)CC2 ZINC001164712586 720136621 /nfs/dbraw/zinc/13/66/21/720136621.db2.gz NSCFTNJKEKHMNB-LJQANCHMSA-N 1 1 392.507 2.559 20 30 GFEDMO CCCc1cc(C#N)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl ZINC001164740453 720715836 /nfs/dbraw/zinc/71/58/36/720715836.db2.gz QLNZOVJKWOCAKX-SJORKVTESA-N 1 1 398.898 2.691 20 30 GFEDMO N#Cc1ccc2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164866939 721076662 /nfs/dbraw/zinc/07/66/62/721076662.db2.gz VHENEJQZAIUAFO-NHCUHLMSSA-N 1 1 385.471 2.981 20 30 GFEDMO Cc1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c(C#N)c(C)c1Cl ZINC001164770232 721080223 /nfs/dbraw/zinc/08/02/23/721080223.db2.gz PFEMXEBAQIYEIS-IRXDYDNUSA-N 1 1 384.915 2.915 20 30 GFEDMO N#Cc1cc2c(nc1N1CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C1)CCCC2 ZINC001164871501 721140073 /nfs/dbraw/zinc/14/00/73/721140073.db2.gz FCAGVHPOTIKKKD-NHCUHLMSSA-N 1 1 389.503 2.707 20 30 GFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C)c(C#N)n1)CC2 ZINC001164787870 721458829 /nfs/dbraw/zinc/45/88/29/721458829.db2.gz SRVGZIJWZLEYBM-HXUWFJFHSA-N 1 1 398.551 2.996 20 30 GFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Cl)c2C#N)[C@@H]2CCCO[C@@H]12 ZINC001164810134 721539758 /nfs/dbraw/zinc/53/97/58/721539758.db2.gz XDGLVHISVLTAMI-GUDVDZBRSA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Cl)c2C#N)[C@@H]2CCCO[C@@H]12 ZINC001164810134 721539760 /nfs/dbraw/zinc/53/97/60/721539760.db2.gz XDGLVHISVLTAMI-GUDVDZBRSA-N 1 1 383.883 2.870 20 30 GFEDMO Cc1nc(C#N)cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164911765 721737154 /nfs/dbraw/zinc/73/71/54/721737154.db2.gz KHUMBIFRFAEPPL-LJQANCHMSA-N 1 1 384.434 2.789 20 30 GFEDMO Cc1ccc(C#N)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164960489 722053901 /nfs/dbraw/zinc/05/39/01/722053901.db2.gz PLSXRIUBKQUTHV-UHFFFAOYSA-N 1 1 377.492 2.776 20 30 GFEDMO N#CCc1ccnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164961621 722058373 /nfs/dbraw/zinc/05/83/73/722058373.db2.gz MWNWSIPKAGGBHB-UHFFFAOYSA-N 1 1 377.492 2.662 20 30 GFEDMO Cc1ccc(CC#N)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164972668 722145198 /nfs/dbraw/zinc/14/51/98/722145198.db2.gz AGSXMRINPKJGFW-NHCUHLMSSA-N 1 1 377.492 2.578 20 30 GFEDMO Cc1nc(CN2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)cs1 ZINC000122073283 551294132 /nfs/dbraw/zinc/29/41/32/551294132.db2.gz SYGFDJVAGBQIQZ-UHFFFAOYSA-N 1 1 375.523 2.531 20 30 GFEDMO Cc1oc(NC(=O)C[NH2+][C@@H](CO)c2cccc(Br)c2)c(C#N)c1C ZINC000183917728 552322946 /nfs/dbraw/zinc/32/29/46/552322946.db2.gz WKBUEYKHLMJFDR-HNNXBMFYSA-N 1 1 392.253 2.792 20 30 GFEDMO N#Cc1ncn(C2CC[NH+](Cc3cccc(I)c3)CC2)n1 ZINC000367040689 563828150 /nfs/dbraw/zinc/82/81/50/563828150.db2.gz MCFDENYCPRZLER-UHFFFAOYSA-N 1 1 393.232 2.591 20 30 GFEDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@H]1c1ccccc1 ZINC000248557909 553130999 /nfs/dbraw/zinc/13/09/99/553130999.db2.gz LXXYGRUEYVGTFN-FUHWJXTLSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@H]1c1ccccc1 ZINC000248557909 553131000 /nfs/dbraw/zinc/13/10/00/553131000.db2.gz LXXYGRUEYVGTFN-FUHWJXTLSA-N 1 1 375.881 2.935 20 30 GFEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC(F)(F)C[NH3+] ZINC000418523489 563219541 /nfs/dbraw/zinc/21/95/41/563219541.db2.gz LEWNQKWCCJCZPA-UHFFFAOYSA-N 1 1 380.208 2.880 20 30 GFEDMO C#CCO[C@H](C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000295016474 563225484 /nfs/dbraw/zinc/22/54/84/563225484.db2.gz RFEBMSFEEXEBEY-CQSZACIVSA-N 1 1 379.298 2.568 20 30 GFEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000282022310 563394348 /nfs/dbraw/zinc/39/43/48/563394348.db2.gz KJNAPIOBGAHFIG-WMLDXEAASA-N 1 1 380.286 2.917 20 30 GFEDMO Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1N1CCCS1(=O)=O ZINC000328850244 563467080 /nfs/dbraw/zinc/46/70/80/563467080.db2.gz ZDNIMLOTVGAADC-HNNXBMFYSA-N 1 1 383.539 2.560 20 30 GFEDMO Cc1ccc(NC(=O)C[N@H+](C)[C@H]2CCSC2)cc1N1CCCS1(=O)=O ZINC000328850244 563467081 /nfs/dbraw/zinc/46/70/81/563467081.db2.gz ZDNIMLOTVGAADC-HNNXBMFYSA-N 1 1 383.539 2.560 20 30 GFEDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408007814 563541462 /nfs/dbraw/zinc/54/14/62/563541462.db2.gz JLKMGXVNAKLVLH-QWHCGFSZSA-N 1 1 398.326 2.568 20 30 GFEDMO Cc1cc(Cl)c(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1Cl ZINC000331269177 563542843 /nfs/dbraw/zinc/54/28/43/563542843.db2.gz FDIQTWIEZUVFDZ-UHFFFAOYSA-N 1 1 387.311 2.943 20 30 GFEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(Br)cc1C#N ZINC000287966004 563624600 /nfs/dbraw/zinc/62/46/00/563624600.db2.gz YZMQCGFFNQMSAI-UHFFFAOYSA-N 1 1 379.346 2.779 20 30 GFEDMO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(Br)cc1C#N ZINC000287966004 563624604 /nfs/dbraw/zinc/62/46/04/563624604.db2.gz YZMQCGFFNQMSAI-UHFFFAOYSA-N 1 1 379.346 2.779 20 30 GFEDMO CN(Cc1cc(C#N)ccc1Br)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365191625 563776895 /nfs/dbraw/zinc/77/68/95/563776895.db2.gz MYGMOAVAYZYQGG-SFHVURJKSA-N 1 1 391.357 2.921 20 30 GFEDMO N#Cc1ccc(CN2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000367940238 563860313 /nfs/dbraw/zinc/86/03/13/563860313.db2.gz DDYMSUJUERPROH-SJORKVTESA-N 1 1 378.314 2.742 20 30 GFEDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cccc(C#N)c2Br)C[C@H](C)O1 ZINC000448627904 563898996 /nfs/dbraw/zinc/89/89/96/563898996.db2.gz OCBFRTHTAKNKOW-BETUJISGSA-N 1 1 380.286 2.550 20 30 GFEDMO CC1(C)CCC[N@H+]1CCNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000452082435 564389877 /nfs/dbraw/zinc/38/98/77/564389877.db2.gz FSFQHWXMBAZHSZ-UHFFFAOYSA-N 1 1 375.416 2.730 20 30 GFEDMO N#Cc1csc(C[NH2+]CCCN2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000568936574 564441704 /nfs/dbraw/zinc/44/17/04/564441704.db2.gz SEWARBPKYHUXFG-UHFFFAOYSA-N 1 1 375.929 2.970 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)cc1OC ZINC000552285886 564684353 /nfs/dbraw/zinc/68/43/53/564684353.db2.gz FYEHXYYKOCJVKB-CQSZACIVSA-N 1 1 383.286 2.685 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)cc1OC ZINC000552285886 564684356 /nfs/dbraw/zinc/68/43/56/564684356.db2.gz FYEHXYYKOCJVKB-CQSZACIVSA-N 1 1 383.286 2.685 20 30 GFEDMO CC(C)OCC[NH+]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487952155 564699754 /nfs/dbraw/zinc/69/97/54/564699754.db2.gz IIDFVOILRVIWNI-UHFFFAOYSA-N 1 1 395.301 2.895 20 30 GFEDMO C[C@]1(Br)C[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000527745958 564759490 /nfs/dbraw/zinc/75/94/90/564759490.db2.gz QZERMUZPUPXYPG-AEFFLSMTSA-N 1 1 376.298 2.766 20 30 GFEDMO C[C@]1(Br)C[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000527745958 564759492 /nfs/dbraw/zinc/75/94/92/564759492.db2.gz QZERMUZPUPXYPG-AEFFLSMTSA-N 1 1 376.298 2.766 20 30 GFEDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492671655 564803644 /nfs/dbraw/zinc/80/36/44/564803644.db2.gz KTKDCOJSOMREMS-ZFWWWQNUSA-N 1 1 394.313 2.684 20 30 GFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1nc2cc(Br)ccc2o1 ZINC000556811485 564840717 /nfs/dbraw/zinc/84/07/17/564840717.db2.gz LXWQNZOROCJDBD-UHFFFAOYSA-N 1 1 389.257 2.662 20 30 GFEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000532098159 564928916 /nfs/dbraw/zinc/92/89/16/564928916.db2.gz ZGOPJCQCNGPGDC-AWEZNQCLSA-N 1 1 382.302 2.768 20 30 GFEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000532098159 564928913 /nfs/dbraw/zinc/92/89/13/564928913.db2.gz ZGOPJCQCNGPGDC-AWEZNQCLSA-N 1 1 382.302 2.768 20 30 GFEDMO C=CC[N@@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H](C)COC ZINC000661240897 565316286 /nfs/dbraw/zinc/31/62/86/565316286.db2.gz SQISXJCWADOUBM-SWLSCSKDSA-N 1 1 376.266 2.851 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000594801873 565422488 /nfs/dbraw/zinc/42/24/88/565422488.db2.gz ULGAAILOICZLFG-LBPRGKRZSA-N 1 1 375.416 2.728 20 30 GFEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)c1 ZINC000602863463 565872067 /nfs/dbraw/zinc/87/20/67/565872067.db2.gz OGSDIYSXFXLEIM-LLVKDONJSA-N 1 1 375.226 2.511 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000656985039 566200078 /nfs/dbraw/zinc/20/00/78/566200078.db2.gz LTHOPPDNQPUGBE-WBMJQRKESA-N 1 1 398.301 2.855 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000656985039 566200082 /nfs/dbraw/zinc/20/00/82/566200082.db2.gz LTHOPPDNQPUGBE-WBMJQRKESA-N 1 1 398.301 2.855 20 30 GFEDMO C#CC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)Cc1ccc(F)cc1 ZINC000735374570 598983573 /nfs/dbraw/zinc/98/35/73/598983573.db2.gz KCSBVZNYVFESIL-UHFFFAOYSA-N 1 1 381.411 2.529 20 30 GFEDMO CCC[N@@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccc(C#N)cc1 ZINC000821094988 599303149 /nfs/dbraw/zinc/30/31/49/599303149.db2.gz WALIYLWKCZJIHC-UHFFFAOYSA-N 1 1 389.463 2.979 20 30 GFEDMO Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)oc1C ZINC000833000832 601305266 /nfs/dbraw/zinc/30/52/66/601305266.db2.gz KCPHJZZKAMIJHC-HXUWFJFHSA-N 1 1 382.464 2.791 20 30 GFEDMO CC(C)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000820087701 606888520 /nfs/dbraw/zinc/88/85/20/606888520.db2.gz XIKIARSORUIQPB-HXUWFJFHSA-N 1 1 376.464 2.930 20 30 GFEDMO N#Cc1ccc(F)cc1CN1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822829963 607057099 /nfs/dbraw/zinc/05/70/99/607057099.db2.gz RAABYOPTQDYUTR-UHFFFAOYSA-N 1 1 391.454 2.585 20 30 GFEDMO C=CC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823909492 608631348 /nfs/dbraw/zinc/63/13/48/608631348.db2.gz GIMXXWNNQBOLEN-UHFFFAOYSA-N 1 1 388.475 2.947 20 30 GFEDMO CCCNC(=O)C[NH+]1CCC(Nc2ccc(C#N)cc2Br)CC1 ZINC000122909299 654746669 /nfs/dbraw/zinc/74/66/69/654746669.db2.gz HNCKCOBCHCGOHH-UHFFFAOYSA-N 1 1 379.302 2.723 20 30 GFEDMO C#CCC[NH+]1CCN(Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000127241314 654826790 /nfs/dbraw/zinc/82/67/90/654826790.db2.gz PKORQVFJCXJHDO-UHFFFAOYSA-N 1 1 375.270 2.640 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000838622643 661051071 /nfs/dbraw/zinc/05/10/71/661051071.db2.gz WXOPSMGKKYPDTJ-MRXNPFEDSA-N 1 1 379.302 2.646 20 30 GFEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000104079015 655078492 /nfs/dbraw/zinc/07/84/92/655078492.db2.gz QZQOECBJOWTELU-ZDUSSCGKSA-N 1 1 398.326 2.930 20 30 GFEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000104079015 655078495 /nfs/dbraw/zinc/07/84/95/655078495.db2.gz QZQOECBJOWTELU-ZDUSSCGKSA-N 1 1 398.326 2.930 20 30 GFEDMO NC(=[NH+]OCc1noc(Cc2ccc(Br)cc2)n1)C1CCOCC1 ZINC000112086808 655182099 /nfs/dbraw/zinc/18/20/99/655182099.db2.gz XXHRCTHBENXXNF-UHFFFAOYSA-N 1 1 395.257 2.638 20 30 GFEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000839635339 661097334 /nfs/dbraw/zinc/09/73/34/661097334.db2.gz HHXYAMSDBZHYBC-RPVQJOFSSA-N 1 1 396.329 2.857 20 30 GFEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000839635339 661097336 /nfs/dbraw/zinc/09/73/36/661097336.db2.gz HHXYAMSDBZHYBC-RPVQJOFSSA-N 1 1 396.329 2.857 20 30 GFEDMO C[NH+]=C(NCc1sc(C)nc1C)NCC1(N2CCSCC2)CCCC1 ZINC000262359409 655445433 /nfs/dbraw/zinc/44/54/33/655445433.db2.gz GNDOBBKOOSHLNI-UHFFFAOYSA-N 1 1 381.615 2.787 20 30 GFEDMO C#CCOc1ccc(Br)cc1CNCC[NH+]1CCC(OC)CC1 ZINC000751148244 655822071 /nfs/dbraw/zinc/82/20/71/655822071.db2.gz OVYNQYDFJMVGEW-UHFFFAOYSA-N 1 1 381.314 2.662 20 30 GFEDMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000755043158 655879066 /nfs/dbraw/zinc/87/90/66/655879066.db2.gz VHZHQHJPTIQBFI-PBHICJAKSA-N 1 1 389.297 3.000 20 30 GFEDMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000755043158 655879068 /nfs/dbraw/zinc/87/90/68/655879068.db2.gz VHZHQHJPTIQBFI-PBHICJAKSA-N 1 1 389.297 3.000 20 30 GFEDMO COc1ccc(NC(=S)NN=C2CC[NH+](CCC(F)(F)F)CC2)cn1 ZINC000779777057 656941895 /nfs/dbraw/zinc/94/18/95/656941895.db2.gz QPXDQCUEQNAQJM-UHFFFAOYSA-N 1 1 375.420 2.781 20 30 GFEDMO C=CCC[N@@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785529924 657372991 /nfs/dbraw/zinc/37/29/91/657372991.db2.gz SSIPWUMREKKKLD-UHFFFAOYSA-N 1 1 376.316 2.880 20 30 GFEDMO C=CCC[N@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785529924 657372995 /nfs/dbraw/zinc/37/29/95/657372995.db2.gz SSIPWUMREKKKLD-UHFFFAOYSA-N 1 1 376.316 2.880 20 30 GFEDMO N#Cc1cc(Br)ccc1COC(=O)CCCC[NH+]1CCOCC1 ZINC000805549557 659799210 /nfs/dbraw/zinc/79/92/10/659799210.db2.gz GWBZFZXKXSKDIQ-UHFFFAOYSA-N 1 1 381.270 2.866 20 30 GFEDMO N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1sc3c(c1Br)C[NH2+]C3)C2 ZINC000868038382 662592212 /nfs/dbraw/zinc/59/22/12/662592212.db2.gz REUPFULNCXMISJ-LBPRGKRZSA-N 1 1 388.290 2.883 20 30 GFEDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2nc(Cl)c(C#N)s2)C[C@@H](C)O1 ZINC000888411072 663195483 /nfs/dbraw/zinc/19/54/83/663195483.db2.gz LTQAQPIYMKZOHF-UTUOFQBUSA-N 1 1 383.905 2.774 20 30 GFEDMO O=c1oc2ccc(Br)cc2n1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902599566 663764247 /nfs/dbraw/zinc/76/42/47/663764247.db2.gz FWMRIPXSRYKKLC-UHFFFAOYSA-N 1 1 393.237 2.652 20 30 GFEDMO N#Cc1cc(CS(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cs1 ZINC000913845573 664360971 /nfs/dbraw/zinc/36/09/71/664360971.db2.gz WEIZMNBVSUXILM-MRXNPFEDSA-N 1 1 379.507 2.859 20 30 GFEDMO N#Cc1cc(CS(=O)(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000913913209 664365384 /nfs/dbraw/zinc/36/53/84/664365384.db2.gz VXMNYUKSIZIOMX-KRWDZBQOSA-N 1 1 375.519 2.704 20 30 GFEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000916309865 664456865 /nfs/dbraw/zinc/45/68/65/664456865.db2.gz JZVAPDBAVLJJFO-UHFFFAOYSA-N 1 1 389.352 2.904 20 30 GFEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cc(Cl)cc(Cl)c1 ZINC000917536054 664485798 /nfs/dbraw/zinc/48/57/98/664485798.db2.gz PMPWSHKQJFVTKI-UHFFFAOYSA-N 1 1 375.325 2.514 20 30 GFEDMO CC(C)[C@@H](C[NH2+]Cc1cc(C#N)ccc1Br)N1CCN(C)CC1 ZINC000921523453 664552080 /nfs/dbraw/zinc/55/20/80/664552080.db2.gz XNASOPKRYRJWSZ-GOSISDBHSA-N 1 1 379.346 2.682 20 30 GFEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000931390367 664793527 /nfs/dbraw/zinc/79/35/27/664793527.db2.gz UHAFCDQJEWPELA-LBPRGKRZSA-N 1 1 388.269 2.611 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000931390367 664793528 /nfs/dbraw/zinc/79/35/28/664793528.db2.gz UHAFCDQJEWPELA-LBPRGKRZSA-N 1 1 388.269 2.611 20 30 GFEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000932206818 664813349 /nfs/dbraw/zinc/81/33/49/664813349.db2.gz AMKKYWKHJATTIO-WMLDXEAASA-N 1 1 380.286 2.917 20 30 GFEDMO C[C@@](CO)([NH2+]CC(=O)Nc1sccc1C#N)c1cccc(Br)c1 ZINC000934496714 664908802 /nfs/dbraw/zinc/90/88/02/664908802.db2.gz DCVDXGKZCBIGBN-INIZCTEOSA-N 1 1 394.294 2.818 20 30 GFEDMO COC(=O)c1cc(C#N)cnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628811 719109041 /nfs/dbraw/zinc/10/90/41/719109041.db2.gz OOBLPDKDONAAQZ-QUCCMNQESA-N 1 1 376.460 2.841 20 30 GFEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)ncc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839991 720521137 /nfs/dbraw/zinc/52/11/37/720521137.db2.gz VMBAKPDVNKXQOF-HYVNUMGLSA-N 1 1 385.903 2.576 20 30 GFEDMO N#Cc1ccc2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164866938 721076938 /nfs/dbraw/zinc/07/69/38/721076938.db2.gz VHENEJQZAIUAFO-LEWJYISDSA-N 1 1 385.471 2.981 20 30 GFEDMO N#Cc1c2c(cnc1N1CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C1)CCCC2 ZINC001164866671 721189722 /nfs/dbraw/zinc/18/97/22/721189722.db2.gz BSGZDWHKOYTZPR-VQTJNVASSA-N 1 1 389.503 2.707 20 30 GFEDMO COc1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(F)cc1C#N ZINC001164909688 721551280 /nfs/dbraw/zinc/55/12/80/721551280.db2.gz UPLBPRSMANDYJC-DOTOQJQBSA-N 1 1 386.402 2.582 20 30 GFEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3C#N)C[C@H]21 ZINC001165018940 721809269 /nfs/dbraw/zinc/80/92/69/721809269.db2.gz BBKYWKNIEOFERP-CWFSZBLJSA-N 1 1 392.463 2.993 20 30 GFEDMO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056566 722015294 /nfs/dbraw/zinc/01/52/94/722015294.db2.gz WGHBDNTWFRAPCU-UHFFFAOYSA-N 1 1 392.507 2.698 20 30 GFEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000121234774 551230012 /nfs/dbraw/zinc/23/00/12/551230012.db2.gz SEJIIBRYLFHNQB-CYBMUJFWSA-N 1 1 387.933 2.815 20 30 GFEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000121234774 551230013 /nfs/dbraw/zinc/23/00/13/551230013.db2.gz SEJIIBRYLFHNQB-CYBMUJFWSA-N 1 1 387.933 2.815 20 30 GFEDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1C ZINC000121932455 551292918 /nfs/dbraw/zinc/29/29/18/551292918.db2.gz AYQLZSSETURRBE-FZMZJTMJSA-N 1 1 375.416 2.680 20 30 GFEDMO CC[N@@H+](CCOc1ccc(Br)cc1)[C@H](C)C(=O)N(C)CCC#N ZINC000159614881 551567963 /nfs/dbraw/zinc/56/79/63/551567963.db2.gz HUGZHUJVLGGUCT-CQSZACIVSA-N 1 1 382.302 2.910 20 30 GFEDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)[C@@H]1c1ccccc1 ZINC000178951312 552180123 /nfs/dbraw/zinc/18/01/23/552180123.db2.gz FMGUIMMXPWTCFJ-WMZOPIPTSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)[C@@H]1c1ccccc1 ZINC000178951312 552180125 /nfs/dbraw/zinc/18/01/25/552180125.db2.gz FMGUIMMXPWTCFJ-WMZOPIPTSA-N 1 1 375.881 2.935 20 30 GFEDMO C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000179382847 552191819 /nfs/dbraw/zinc/19/18/19/552191819.db2.gz VYKNFNOEFSHVIH-KBXCAEBGSA-N 1 1 394.313 2.973 20 30 GFEDMO C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000179382847 552191820 /nfs/dbraw/zinc/19/18/20/552191820.db2.gz VYKNFNOEFSHVIH-KBXCAEBGSA-N 1 1 394.313 2.973 20 30 GFEDMO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000191814748 552538883 /nfs/dbraw/zinc/53/88/83/552538883.db2.gz KKBSVQBDZGNGQT-QGZVFWFLSA-N 1 1 389.297 3.000 20 30 GFEDMO Cc1ccc2c(ncc(C#N)c2N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1Br ZINC000329738818 563487001 /nfs/dbraw/zinc/48/70/01/563487001.db2.gz UOAADYTUWUSCTJ-LSDHHAIUSA-N 1 1 387.281 2.697 20 30 GFEDMO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000329979437 563492704 /nfs/dbraw/zinc/49/27/04/563492704.db2.gz JOIMNJZNXJIUSD-AWEZNQCLSA-N 1 1 390.285 2.960 20 30 GFEDMO CC(C)C[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000330369892 563502908 /nfs/dbraw/zinc/50/29/08/563502908.db2.gz CUOYFFLLRVRNDI-UHFFFAOYSA-N 1 1 375.416 2.539 20 30 GFEDMO C[C@]1(CNS(=O)(=O)c2ccc(C#N)s2)CCC[N@@H+]1Cc1ccccc1 ZINC000398109690 563532998 /nfs/dbraw/zinc/53/29/98/563532998.db2.gz QQBPXUQFYXHRIA-GOSISDBHSA-N 1 1 375.519 2.953 20 30 GFEDMO C[C@]1(CNS(=O)(=O)c2ccc(C#N)s2)CCC[N@H+]1Cc1ccccc1 ZINC000398109690 563533000 /nfs/dbraw/zinc/53/30/00/563533000.db2.gz QQBPXUQFYXHRIA-GOSISDBHSA-N 1 1 375.519 2.953 20 30 GFEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)[C@@H](C)C1 ZINC000331164996 563538620 /nfs/dbraw/zinc/53/86/20/563538620.db2.gz HMNOUULVKSIRTR-QWRGUYRKSA-N 1 1 377.819 2.874 20 30 GFEDMO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000414467078 563741670 /nfs/dbraw/zinc/74/16/70/563741670.db2.gz VYFZJPHOTYTYMZ-DOTOQJQBSA-N 1 1 375.881 2.588 20 30 GFEDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000414467078 563741672 /nfs/dbraw/zinc/74/16/72/563741672.db2.gz VYFZJPHOTYTYMZ-DOTOQJQBSA-N 1 1 375.881 2.588 20 30 GFEDMO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000365505923 563785353 /nfs/dbraw/zinc/78/53/53/563785353.db2.gz FYHFDOHBHRCLDD-CRAIPNDOSA-N 1 1 375.519 2.900 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H]3C(=O)NC[C@H]3C2)cc1OC ZINC000365659733 563789671 /nfs/dbraw/zinc/78/96/71/563789671.db2.gz NSVCRVMFWHZVND-UONOGXRCSA-N 1 1 395.297 2.590 20 30 GFEDMO C[N@@H+](CCNC(=O)COc1cccc(Br)c1C#N)C1CCCC1 ZINC000449845786 564205810 /nfs/dbraw/zinc/20/58/10/564205810.db2.gz SETWWMWYIAFJSM-UHFFFAOYSA-N 1 1 380.286 2.690 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000489848934 564755730 /nfs/dbraw/zinc/75/57/30/564755730.db2.gz RLFXSKXSLINZRW-KRWDZBQOSA-N 1 1 381.860 2.932 20 30 GFEDMO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C1=O ZINC000467509354 564965764 /nfs/dbraw/zinc/96/57/64/564965764.db2.gz AAXZOOBBUFRRMF-HNNXBMFYSA-N 1 1 395.297 2.829 20 30 GFEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C1=O ZINC000467509354 564965767 /nfs/dbraw/zinc/96/57/67/564965767.db2.gz AAXZOOBBUFRRMF-HNNXBMFYSA-N 1 1 395.297 2.829 20 30 GFEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1ccsc1C#N)C1CC1 ZINC000593578713 565344176 /nfs/dbraw/zinc/34/41/76/565344176.db2.gz NLEAMCYERZOJQR-INIZCTEOSA-N 1 1 375.519 2.809 20 30 GFEDMO Cn1ncc(Br)c1C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593693375 565357253 /nfs/dbraw/zinc/35/72/53/565357253.db2.gz WRSIEPSEMUBUMS-UHFFFAOYSA-N 1 1 388.313 2.808 20 30 GFEDMO N#Cc1ccc(OCC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000594198939 565378150 /nfs/dbraw/zinc/37/81/50/565378150.db2.gz VVPZMAPWDNZMOG-SJORKVTESA-N 1 1 392.297 2.833 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000594800229 565422562 /nfs/dbraw/zinc/42/25/62/565422562.db2.gz ZVSWWBZDKUHAAF-LBPRGKRZSA-N 1 1 375.416 2.728 20 30 GFEDMO C=CCOCCNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000665737817 565510899 /nfs/dbraw/zinc/51/08/99/565510899.db2.gz JABWMSFUMNIGKH-UHFFFAOYSA-N 1 1 396.329 2.915 20 30 GFEDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)COc1cccc(Br)c1C#N)C2 ZINC000597709951 565570450 /nfs/dbraw/zinc/57/04/50/565570450.db2.gz FAGOCIAXCAAURZ-GOSISDBHSA-N 1 1 392.297 2.644 20 30 GFEDMO COc1ccc(Br)cc1C[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599258443 565664397 /nfs/dbraw/zinc/66/43/97/565664397.db2.gz YUCXZHPIAOLCDD-MRXNPFEDSA-N 1 1 397.313 2.961 20 30 GFEDMO N#CC1(C[C@@H](O)C[N@@H+]2CCc3c(Br)cccc3C2)CCOCC1 ZINC000599277135 565667284 /nfs/dbraw/zinc/66/72/84/565667284.db2.gz JONBJJQHCSWSNA-OAHLLOKOSA-N 1 1 379.298 2.879 20 30 GFEDMO N#CC1(C[C@@H](O)C[N@H+]2CCc3c(Br)cccc3C2)CCOCC1 ZINC000599277135 565667292 /nfs/dbraw/zinc/66/72/92/565667292.db2.gz JONBJJQHCSWSNA-OAHLLOKOSA-N 1 1 379.298 2.879 20 30 GFEDMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCCOc3ccc(C#N)cc3)c2c1 ZINC000822196848 599048461 /nfs/dbraw/zinc/04/84/61/599048461.db2.gz YQLCHXRBWANBQJ-UHFFFAOYSA-N 1 1 385.431 2.816 20 30 GFEDMO Fc1ccc(C#CCN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822762041 607497169 /nfs/dbraw/zinc/49/71/69/607497169.db2.gz XYAPHVDTRXNENG-UHFFFAOYSA-N 1 1 390.466 2.565 20 30 GFEDMO CC1(C)C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCN1Cc1cccc(C#N)c1 ZINC000820601069 606086921 /nfs/dbraw/zinc/08/69/21/606086921.db2.gz BCFHRKMEMJEABR-UHFFFAOYSA-N 1 1 387.491 2.835 20 30 GFEDMO N#Cc1cccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1F ZINC000826386876 608393510 /nfs/dbraw/zinc/39/35/10/608393510.db2.gz WIIZXSJYSMHHKH-UHFFFAOYSA-N 1 1 378.411 2.921 20 30 GFEDMO COCC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826158891 608566959 /nfs/dbraw/zinc/56/69/59/608566959.db2.gz HKEPVCQYKWJVHH-INIZCTEOSA-N 1 1 392.463 2.806 20 30 GFEDMO C#C[C@@H](NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000836519938 660913156 /nfs/dbraw/zinc/91/31/56/660913156.db2.gz OZJIVRHNXLTLNC-AEFFLSMTSA-N 1 1 376.298 2.861 20 30 GFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000125450088 654795115 /nfs/dbraw/zinc/79/51/15/654795115.db2.gz XNXYYXSAQBSFDS-UHFFFAOYSA-N 1 1 381.267 2.673 20 30 GFEDMO N#Cc1ccc(Br)c(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 ZINC000839580745 661093396 /nfs/dbraw/zinc/09/33/96/661093396.db2.gz MLAVPZWHDCEKIX-MRXNPFEDSA-N 1 1 375.270 2.989 20 30 GFEDMO N#Cc1ccc(Br)c(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC000839580743 661093508 /nfs/dbraw/zinc/09/35/08/661093508.db2.gz MLAVPZWHDCEKIX-INIZCTEOSA-N 1 1 375.270 2.989 20 30 GFEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(Br)c1 ZINC000275071719 655215230 /nfs/dbraw/zinc/21/52/30/655215230.db2.gz AGFMWFXERQHZBY-GFCCVEGCSA-N 1 1 390.203 2.821 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000289292327 655345595 /nfs/dbraw/zinc/34/55/95/655345595.db2.gz YLLQZCYAGNDHTQ-SFHVURJKSA-N 1 1 377.897 2.934 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(Br)cc(Br)c1 ZINC000328146017 655386877 /nfs/dbraw/zinc/38/68/77/655386877.db2.gz CZAVGSBKEYNEGY-UHFFFAOYSA-N 1 1 388.103 2.897 20 30 GFEDMO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000245549837 655427915 /nfs/dbraw/zinc/42/79/15/655427915.db2.gz ZVTHXEZXYVEXLI-DLBZAZTESA-N 1 1 388.265 2.513 20 30 GFEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000245549837 655427916 /nfs/dbraw/zinc/42/79/16/655427916.db2.gz ZVTHXEZXYVEXLI-DLBZAZTESA-N 1 1 388.265 2.513 20 30 GFEDMO CC(C)C[N@@H+](C)CCCNC(=O)COc1cccc(Br)c1C#N ZINC000593205613 655512165 /nfs/dbraw/zinc/51/21/65/655512165.db2.gz KARZCSRTRMPCRX-UHFFFAOYSA-N 1 1 382.302 2.794 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)/C=C\c2ccccc2Br)CC1 ZINC000730018190 655570909 /nfs/dbraw/zinc/57/09/09/655570909.db2.gz QCODYDUCXUJFAP-LCYFTJDESA-N 1 1 385.327 2.990 20 30 GFEDMO C#CC[N@@H+](C[C@H](O)COC(C)C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733613816 655618647 /nfs/dbraw/zinc/61/86/47/655618647.db2.gz MXWWWCKKKWXHAH-DOTOQJQBSA-N 1 1 382.298 2.994 20 30 GFEDMO C#CC[N@H+](C[C@H](O)COC(C)C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733613816 655618650 /nfs/dbraw/zinc/61/86/50/655618650.db2.gz MXWWWCKKKWXHAH-DOTOQJQBSA-N 1 1 382.298 2.994 20 30 GFEDMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1cccc(S(N)(=O)=O)c1 ZINC000782977864 657198438 /nfs/dbraw/zinc/19/84/38/657198438.db2.gz AIQMFMOCAYUIAX-GFCCVEGCSA-N 1 1 379.869 2.741 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1c(C)nc2ccc(Br)cn21 ZINC000796690579 658931171 /nfs/dbraw/zinc/93/11/71/658931171.db2.gz UZFJDUNXQQEKFA-AWEZNQCLSA-N 1 1 376.254 2.660 20 30 GFEDMO C#C[C@H]1CCC[N@H+](Cn2ncc3c2ccc(Br)c3C(=O)OC)C1 ZINC000848495066 661655961 /nfs/dbraw/zinc/65/59/61/661655961.db2.gz YJKNSTBVMYQRKL-LBPRGKRZSA-N 1 1 376.254 2.888 20 30 GFEDMO N#Cc1ncc(Br)cc1N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000853913447 661907687 /nfs/dbraw/zinc/90/76/87/661907687.db2.gz PMFHLOODGSXLBE-HZPDHXFCSA-N 1 1 377.286 2.771 20 30 GFEDMO C=CCOc1ccc(C[NH2+]Cc2c(I)cnn2C)cc1 ZINC000865867901 662448319 /nfs/dbraw/zinc/44/83/19/662448319.db2.gz HRYQKKKGBHVEAO-UHFFFAOYSA-N 1 1 383.233 2.879 20 30 GFEDMO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871056981 662714384 /nfs/dbraw/zinc/71/43/84/662714384.db2.gz PLQPWYMDPGHUFP-SWLSCSKDSA-N 1 1 391.317 2.752 20 30 GFEDMO CC(N=Nc1cc(Br)ncn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000872435790 662766141 /nfs/dbraw/zinc/76/61/41/662766141.db2.gz HAZYLZJZQIFHMD-HNNXBMFYSA-N 1 1 390.285 2.928 20 30 GFEDMO CC(N=Nc1cc(Br)ncn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000872435790 662766143 /nfs/dbraw/zinc/76/61/43/662766143.db2.gz HAZYLZJZQIFHMD-HNNXBMFYSA-N 1 1 390.285 2.928 20 30 GFEDMO N#Cc1ccccc1N1CCC[N@@H+](C[C@@H](O)c2cc(Br)no2)CC1 ZINC000877960922 662887037 /nfs/dbraw/zinc/88/70/37/662887037.db2.gz GQIPYFGNWYHTBQ-OAHLLOKOSA-N 1 1 391.269 2.554 20 30 GFEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H](O)c2cc(Br)no2)CC1 ZINC000877960922 662887038 /nfs/dbraw/zinc/88/70/38/662887038.db2.gz GQIPYFGNWYHTBQ-OAHLLOKOSA-N 1 1 391.269 2.554 20 30 GFEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)cc1 ZINC000878876177 662908037 /nfs/dbraw/zinc/90/80/37/662908037.db2.gz TXVZBTQLPYBXPX-AEFFLSMTSA-N 1 1 388.265 2.902 20 30 GFEDMO COC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1cccc(Br)c1 ZINC000879661955 662934940 /nfs/dbraw/zinc/93/49/40/662934940.db2.gz MWHIGDNMYBCDJG-WBVHZDCISA-N 1 1 382.302 2.781 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC1 ZINC000881866413 663007064 /nfs/dbraw/zinc/00/70/64/663007064.db2.gz XYBAFOJBGVBCOE-UHFFFAOYSA-N 1 1 383.823 2.683 20 30 GFEDMO N#Cc1cnc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c(Br)c1 ZINC000882629494 663034115 /nfs/dbraw/zinc/03/41/15/663034115.db2.gz HFMIAKZERGSEHH-HUUCEWRRSA-N 1 1 377.286 2.771 20 30 GFEDMO C#CC[NH+]1CCN(Cn2[nH]c(-c3ccc(Br)cc3)nc2=S)CC1 ZINC000913057980 664319429 /nfs/dbraw/zinc/31/94/29/664319429.db2.gz JYRLGMBNEILXBM-UHFFFAOYSA-N 1 1 392.326 2.578 20 30 GFEDMO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000913847010 664361145 /nfs/dbraw/zinc/36/11/45/664361145.db2.gz NFUMETKHCARYJV-KRWDZBQOSA-N 1 1 377.535 2.959 20 30 GFEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000915909764 664444152 /nfs/dbraw/zinc/44/41/52/664444152.db2.gz ZXFNUGHFGLJNON-MRXNPFEDSA-N 1 1 381.307 2.969 20 30 GFEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cccc(Cl)c1Cl ZINC000916309499 664456891 /nfs/dbraw/zinc/45/68/91/664456891.db2.gz DRMMBWAJEYRCKB-UHFFFAOYSA-N 1 1 375.325 2.514 20 30 GFEDMO N#Cc1c(Cl)ccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743315 720818434 /nfs/dbraw/zinc/81/84/34/720818434.db2.gz SDSBIZGSWCNFOE-GPMSIDNRSA-N 1 1 397.914 2.578 20 30 GFEDMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1C#N ZINC001164866307 721050028 /nfs/dbraw/zinc/05/00/28/721050028.db2.gz DVHZAZQKHGBFFF-IRXDYDNUSA-N 1 1 383.883 2.790 20 30 GFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)CCC3)[C@@H]2CCCO[C@H]12 ZINC001164801738 721577983 /nfs/dbraw/zinc/57/79/83/721577983.db2.gz FMNVIIMDGBVRQC-VSKRKVRLSA-N 1 1 389.503 2.705 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)CCC3)[C@@H]2CCCO[C@H]12 ZINC001164801738 721577985 /nfs/dbraw/zinc/57/79/85/721577985.db2.gz FMNVIIMDGBVRQC-VSKRKVRLSA-N 1 1 389.503 2.705 20 30 GFEDMO Cc1cc(C#N)cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164963405 722061522 /nfs/dbraw/zinc/06/15/22/722061522.db2.gz YLOWCCODOKCPOF-UHFFFAOYSA-N 1 1 377.492 2.776 20 30 GFEDMO N#Cc1c(Cl)ccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979941 722107106 /nfs/dbraw/zinc/10/71/06/722107106.db2.gz IMHYKRXIIWXIFB-APWZRJJASA-N 1 1 383.883 2.729 20 30 GFEDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000177667144 552156668 /nfs/dbraw/zinc/15/66/68/552156668.db2.gz MBRYMGTUEYPVIM-LBPRGKRZSA-N 1 1 375.416 2.539 20 30 GFEDMO Cc1cccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)c1C#N ZINC000261932050 553162704 /nfs/dbraw/zinc/16/27/04/553162704.db2.gz ZZAZUWOKPZVGDK-QGZVFWFLSA-N 1 1 375.881 2.855 20 30 GFEDMO C[N@@H+](CCN1CCN(c2snc(Cl)c2C#N)CC1)Cc1ccccc1 ZINC000301163744 563395322 /nfs/dbraw/zinc/39/53/22/563395322.db2.gz CEOAZSATZCYJRQ-UHFFFAOYSA-N 1 1 375.929 2.922 20 30 GFEDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282761459 563423770 /nfs/dbraw/zinc/42/37/70/563423770.db2.gz VJXINFONVRGXNT-IAQYHMDHSA-N 1 1 375.416 2.538 20 30 GFEDMO O=C(C[C@@H]1CCCS(=O)(=O)C1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000328899748 563467926 /nfs/dbraw/zinc/46/79/26/563467926.db2.gz ZCLGZGBJWRHOIE-INIZCTEOSA-N 1 1 388.599 2.910 20 30 GFEDMO CC[N@@H+]1CCc2nc(NC(=O)CSCC(=O)N3CCCCC3)sc2C1 ZINC000329164914 563473963 /nfs/dbraw/zinc/47/39/63/563473963.db2.gz HBKFHLYTEIWREI-UHFFFAOYSA-N 1 1 382.555 2.855 20 30 GFEDMO CC[N@H+]1CCc2nc(NC(=O)CSCC(=O)N3CCCCC3)sc2C1 ZINC000329164914 563473967 /nfs/dbraw/zinc/47/39/67/563473967.db2.gz HBKFHLYTEIWREI-UHFFFAOYSA-N 1 1 382.555 2.855 20 30 GFEDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408394996 563553673 /nfs/dbraw/zinc/55/36/73/563553673.db2.gz LMIXHVOBVVCMJS-KBPBESRZSA-N 1 1 398.326 2.568 20 30 GFEDMO CCN(CCC#N)S(=O)(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000409594714 563566298 /nfs/dbraw/zinc/56/62/98/563566298.db2.gz CMXIYVCDTLZUIG-QGZVFWFLSA-N 1 1 384.933 2.547 20 30 GFEDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(F)cc2C#N)[C@H]1c1cccs1 ZINC000363166850 563715699 /nfs/dbraw/zinc/71/56/99/563715699.db2.gz YTXZSIIWHVXICU-SJCJKPOMSA-N 1 1 379.482 2.730 20 30 GFEDMO Cc1nc(NC(=O)C2(N3CC[NH+](C)CC3)CCCC2)sc1SCC#N ZINC000364355489 563750621 /nfs/dbraw/zinc/75/06/21/563750621.db2.gz FICTXCNTEBEFNW-UHFFFAOYSA-N 1 1 379.555 2.566 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1cccc(F)c1 ZINC000443096726 563791933 /nfs/dbraw/zinc/79/19/33/563791933.db2.gz SPJKKDDLBIOTEB-INIZCTEOSA-N 1 1 381.860 2.932 20 30 GFEDMO C[C@H]1C[C@@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)CC[N@H+]1C ZINC000449926614 564209447 /nfs/dbraw/zinc/20/94/47/564209447.db2.gz MNXXCNQWGOVSLW-JSGCOSHPSA-N 1 1 380.286 2.641 20 30 GFEDMO CCC[C@H]1CN(C(=O)c2ccc(Br)cc2C#N)CC[N@H+]1CCOC ZINC000450512787 564236647 /nfs/dbraw/zinc/23/66/47/564236647.db2.gz SIYDWZNUDBTTDP-INIZCTEOSA-N 1 1 394.313 2.894 20 30 GFEDMO C=CCn1c(SC[C@H](O)C[N@H+](C)CC)nc2sc3c(c2c1=O)CCC3 ZINC000565224664 564271803 /nfs/dbraw/zinc/27/18/03/564271803.db2.gz LUSIVKCWKNOYJN-GFCCVEGCSA-N 1 1 379.551 2.537 20 30 GFEDMO N#Cc1ccc(Cl)c(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000475539869 564311848 /nfs/dbraw/zinc/31/18/48/564311848.db2.gz YEXHIDHBDXUSNQ-UHFFFAOYSA-N 1 1 399.969 2.852 20 30 GFEDMO C=CCOc1c(Br)cc(CNC[C@@]2(O)CC[N@@H+](C)C2)cc1OCC ZINC000545859261 564434140 /nfs/dbraw/zinc/43/41/40/564434140.db2.gz PWCBERWHWZTWCG-SFHVURJKSA-N 1 1 399.329 2.569 20 30 GFEDMO C=CCOc1c(Br)cc(C[NH2+]C[C@@]2(O)CCN(C)C2)cc1OCC ZINC000545859261 564434145 /nfs/dbraw/zinc/43/41/45/564434145.db2.gz PWCBERWHWZTWCG-SFHVURJKSA-N 1 1 399.329 2.569 20 30 GFEDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000480708612 564483166 /nfs/dbraw/zinc/48/31/66/564483166.db2.gz WZLFJXSYBMDCHH-CJNGLKHVSA-N 1 1 394.313 2.684 20 30 GFEDMO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(Br)cn3)C2=O)cc1 ZINC000486881043 564669038 /nfs/dbraw/zinc/66/90/38/564669038.db2.gz FLPXKENVJJHRQP-QGZVFWFLSA-N 1 1 385.265 2.606 20 30 GFEDMO CC(C)[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)[NH+]1CCOCC1 ZINC000487857579 564698390 /nfs/dbraw/zinc/69/83/90/564698390.db2.gz OZFSOMLWZZMXCS-MRXNPFEDSA-N 1 1 395.301 2.799 20 30 GFEDMO N#Cc1ccc2ncc(C[N@@H+](CCO)Cc3cccc(Br)c3)n2c1 ZINC000488396807 564710917 /nfs/dbraw/zinc/71/09/17/564710917.db2.gz LSQKNSJZXCTHGF-UHFFFAOYSA-N 1 1 385.265 2.963 20 30 GFEDMO N#Cc1ccc2ncc(C[N@H+](CCO)Cc3cccc(Br)c3)n2c1 ZINC000488396807 564710921 /nfs/dbraw/zinc/71/09/21/564710921.db2.gz LSQKNSJZXCTHGF-UHFFFAOYSA-N 1 1 385.265 2.963 20 30 GFEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1Cl ZINC000553760353 564735028 /nfs/dbraw/zinc/73/50/28/564735028.db2.gz BXELJWZKMAOYEO-DZGCQCFKSA-N 1 1 375.778 2.928 20 30 GFEDMO Cc1nc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)sc1Br ZINC000580544580 564764041 /nfs/dbraw/zinc/76/40/41/564764041.db2.gz QJKUBHKQVLOOTD-LBPRGKRZSA-N 1 1 382.283 2.615 20 30 GFEDMO N#Cc1ccc(N2CC[NH+](CCOc3cccc(Br)c3)CC2)nc1 ZINC000497492979 564869371 /nfs/dbraw/zinc/86/93/71/564869371.db2.gz ARBYWARXPDFPBW-UHFFFAOYSA-N 1 1 387.281 2.917 20 30 GFEDMO CSc1ccc([C@@H](CNS(=O)(=O)c2ccccc2C#N)[NH+](C)C)cc1 ZINC000559197259 564926619 /nfs/dbraw/zinc/92/66/19/564926619.db2.gz JIIKTAZFVGIWRM-QGZVFWFLSA-N 1 1 375.519 2.861 20 30 GFEDMO CCN(CCC[NH+]1CCN(c2snc(C)c2C#N)CC1)CC(F)(F)F ZINC000562051956 565016498 /nfs/dbraw/zinc/01/64/98/565016498.db2.gz OBYWAEBWYPSNEJ-UHFFFAOYSA-N 1 1 375.464 2.720 20 30 GFEDMO CC(C)[N@H+]1CC[C@H](CNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000562519154 565031560 /nfs/dbraw/zinc/03/15/60/565031560.db2.gz HMLBOVBDWLBTHQ-CYBMUJFWSA-N 1 1 380.286 2.546 20 30 GFEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000638918294 565218476 /nfs/dbraw/zinc/21/84/76/565218476.db2.gz PEJOXMFVIZSRFM-UHFFFAOYSA-N 1 1 399.310 2.920 20 30 GFEDMO Cc1cc[nH+]c(N2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)c1 ZINC000593096096 565312599 /nfs/dbraw/zinc/31/25/99/565312599.db2.gz UHVVJXOSHWYNPS-UHFFFAOYSA-N 1 1 399.292 2.916 20 30 GFEDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)CC[C@H]21 ZINC000593535099 565339493 /nfs/dbraw/zinc/33/94/93/565339493.db2.gz VHAZRWBZHFSJQG-WMLDXEAASA-N 1 1 376.298 2.806 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cccc(CC#N)c1)c1ccc(Cl)cc1 ZINC000619798227 565359744 /nfs/dbraw/zinc/35/97/44/565359744.db2.gz BPAYNXVHDCESAC-GOSISDBHSA-N 1 1 377.897 2.987 20 30 GFEDMO N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594195191 565378698 /nfs/dbraw/zinc/37/86/98/565378698.db2.gz CXZUZXGJIIJHLT-JKSUJKDBSA-N 1 1 392.297 2.833 20 30 GFEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccsc2C#N)C1 ZINC000594849157 565429044 /nfs/dbraw/zinc/42/90/44/565429044.db2.gz JQHGQYYGBNTYEB-INIZCTEOSA-N 1 1 375.519 2.557 20 30 GFEDMO N#CC1(C[C@@H](O)C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000599341130 565671569 /nfs/dbraw/zinc/67/15/69/565671569.db2.gz HDVGUBVTOCZFEF-OAHLLOKOSA-N 1 1 387.307 2.859 20 30 GFEDMO N#Cc1c(Br)cccc1N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603424432 565904684 /nfs/dbraw/zinc/90/46/84/565904684.db2.gz VSPOUBCPKKUKIJ-HNNXBMFYSA-N 1 1 393.329 2.529 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000656899774 566179021 /nfs/dbraw/zinc/17/90/21/566179021.db2.gz OWFSGADDSGJADN-UHFFFAOYSA-N 1 1 391.306 2.658 20 30 GFEDMO C=CC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)Cc1cccc(C#N)c1 ZINC000735419353 598983695 /nfs/dbraw/zinc/98/36/95/598983695.db2.gz SALAXQPMERMLCS-UHFFFAOYSA-N 1 1 390.447 2.814 20 30 GFEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000823915433 608633505 /nfs/dbraw/zinc/63/35/05/608633505.db2.gz XWAFKPLWBFPMGK-UHFFFAOYSA-N 1 1 390.426 2.775 20 30 GFEDMO COC(=O)C1(C#N)CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000831695895 660720118 /nfs/dbraw/zinc/72/01/18/660720118.db2.gz WOSICXYNIWCYOI-UHFFFAOYSA-N 1 1 394.269 2.556 20 30 GFEDMO COC(=O)C1(C#N)CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000831687034 660719799 /nfs/dbraw/zinc/71/97/99/660719799.db2.gz GEIOQVQUUCCFBJ-LBPRGKRZSA-N 1 1 387.263 2.512 20 30 GFEDMO N#Cc1c(Br)cccc1OCC(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000835394893 660854714 /nfs/dbraw/zinc/85/47/14/660854714.db2.gz CKTUHWXPSZZVSL-CHWSQXEVSA-N 1 1 379.254 2.870 20 30 GFEDMO N#Cc1c(Br)cccc1OCC(=O)O[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000835394898 660854779 /nfs/dbraw/zinc/85/47/79/660854779.db2.gz CKTUHWXPSZZVSL-OLZOCXBDSA-N 1 1 379.254 2.870 20 30 GFEDMO C#C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000836316551 660899343 /nfs/dbraw/zinc/89/93/43/660899343.db2.gz RVZWJPTUYHHRDT-DLBZAZTESA-N 1 1 376.298 2.907 20 30 GFEDMO Cn1cc(CC[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)cn1 ZINC000272401469 655111518 /nfs/dbraw/zinc/11/15/18/655111518.db2.gz XGSYYPRZMYOSLR-SFHVURJKSA-N 1 1 388.313 2.608 20 30 GFEDMO Cc1[nH+]ccn1CCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000272638472 655117815 /nfs/dbraw/zinc/11/78/15/655117815.db2.gz LIDICHMGMRLJBL-SFHVURJKSA-N 1 1 388.313 2.837 20 30 GFEDMO Cc1cc(NC(=O)[C@H](C)O[NH+]=C(N)C2CCOCC2)ccc1Br ZINC000112087420 655182080 /nfs/dbraw/zinc/18/20/80/655182080.db2.gz SCPFGQVWUJEDCZ-NSHDSACASA-N 1 1 384.274 2.800 20 30 GFEDMO C[C@@H](O[NH+]=C(N)C1CCOCC1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000112087433 655182090 /nfs/dbraw/zinc/18/20/90/655182090.db2.gz MDQWASVWCFRTCI-GFCCVEGCSA-N 1 1 398.301 2.511 20 30 GFEDMO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)CS(=O)(=O)CC ZINC000113000131 655201089 /nfs/dbraw/zinc/20/10/89/655201089.db2.gz KYNAIWXLRLXZCV-ZDUSSCGKSA-N 1 1 385.917 2.685 20 30 GFEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)CS(=O)(=O)CC ZINC000113000131 655201092 /nfs/dbraw/zinc/20/10/92/655201092.db2.gz KYNAIWXLRLXZCV-ZDUSSCGKSA-N 1 1 385.917 2.685 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(I)c(Cl)c1 ZINC000328094398 655386723 /nfs/dbraw/zinc/38/67/23/655386723.db2.gz JLPZRWKMKGALSS-UHFFFAOYSA-N 1 1 390.652 2.630 20 30 GFEDMO C[NH+]=C(NCc1cc(F)cc(Br)c1)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261949336 655443133 /nfs/dbraw/zinc/44/31/33/655443133.db2.gz GUZGEBODUIWRJZ-MEDUHNTESA-N 1 1 383.309 2.736 20 30 GFEDMO C#CC[N@@H+](CCN1CCOCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733197509 655609224 /nfs/dbraw/zinc/60/92/24/655609224.db2.gz RIVQZFAUFYLVHS-QGZVFWFLSA-N 1 1 379.298 2.540 20 30 GFEDMO C#CC[N@H+](CCN1CCOCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733197509 655609226 /nfs/dbraw/zinc/60/92/26/655609226.db2.gz RIVQZFAUFYLVHS-QGZVFWFLSA-N 1 1 379.298 2.540 20 30 GFEDMO C#CC[N@@H+](C[C@@H](O)COC(C)C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733613817 655618589 /nfs/dbraw/zinc/61/85/89/655618589.db2.gz MXWWWCKKKWXHAH-NVXWUHKLSA-N 1 1 382.298 2.994 20 30 GFEDMO C#CC[N@H+](C[C@@H](O)COC(C)C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733613817 655618590 /nfs/dbraw/zinc/61/85/90/655618590.db2.gz MXWWWCKKKWXHAH-NVXWUHKLSA-N 1 1 382.298 2.994 20 30 GFEDMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000755043185 655879001 /nfs/dbraw/zinc/87/90/01/655879001.db2.gz VHZHQHJPTIQBFI-YOEHRIQHSA-N 1 1 389.297 3.000 20 30 GFEDMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000755043185 655879003 /nfs/dbraw/zinc/87/90/03/655879003.db2.gz VHZHQHJPTIQBFI-YOEHRIQHSA-N 1 1 389.297 3.000 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1csc(I)c1 ZINC000756550208 655901814 /nfs/dbraw/zinc/90/18/14/655901814.db2.gz JIBGQYBGEGLDSL-LLVKDONJSA-N 1 1 375.231 2.607 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1csc(I)c1 ZINC000756550208 655901815 /nfs/dbraw/zinc/90/18/15/655901815.db2.gz JIBGQYBGEGLDSL-LLVKDONJSA-N 1 1 375.231 2.607 20 30 GFEDMO C#CC[N@H+](C[C@H](O)CCOCC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000769727514 656288302 /nfs/dbraw/zinc/28/83/02/656288302.db2.gz WWVNQTBXKJUPEK-NVXWUHKLSA-N 1 1 382.298 2.995 20 30 GFEDMO CCOC(=O)COc1c(Br)cc(C)cc1C=NNc1cc[nH+]cc1 ZINC000781594599 657065880 /nfs/dbraw/zinc/06/58/80/657065880.db2.gz BQYZBZGEYQBJAO-UHFFFAOYSA-N 1 1 392.253 2.962 20 30 GFEDMO C#CC[N@@H+](CCOCC(=O)OCC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000809945807 659952935 /nfs/dbraw/zinc/95/29/35/659952935.db2.gz CLAREYGWDGSZPO-MRXNPFEDSA-N 1 1 396.281 2.788 20 30 GFEDMO C#CC[N@H+](CCOCC(=O)OCC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000809945807 659952937 /nfs/dbraw/zinc/95/29/37/659952937.db2.gz CLAREYGWDGSZPO-MRXNPFEDSA-N 1 1 396.281 2.788 20 30 GFEDMO C#C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000848492810 661656104 /nfs/dbraw/zinc/65/61/04/661656104.db2.gz GRBCWXFOTAJIFA-FZKQIMNGSA-N 1 1 390.281 2.519 20 30 GFEDMO C#C[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000848492810 661656105 /nfs/dbraw/zinc/65/61/05/661656105.db2.gz GRBCWXFOTAJIFA-FZKQIMNGSA-N 1 1 390.281 2.519 20 30 GFEDMO C#C[C@H](NC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)c1ccc(Br)cc1 ZINC000868658143 662613935 /nfs/dbraw/zinc/61/39/35/662613935.db2.gz PJGQOJVCICSPHH-XIRDDKMYSA-N 1 1 376.298 2.859 20 30 GFEDMO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000876766255 662866052 /nfs/dbraw/zinc/86/60/52/662866052.db2.gz GFXRPLPTZKLRDN-CABCVRRESA-N 1 1 375.822 2.866 20 30 GFEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Br)c(C#N)n3)CC[C@@H]21 ZINC000883097426 663048966 /nfs/dbraw/zinc/04/89/66/663048966.db2.gz KCDZXGHTTIMMPQ-RISCZKNCSA-N 1 1 378.274 2.664 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884958665 663079846 /nfs/dbraw/zinc/07/98/46/663079846.db2.gz AQVQNJFMVLYHBN-LSDHHAIUSA-N 1 1 375.519 2.987 20 30 GFEDMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2nc(C#N)cs2)[C@@H]1c1cccs1 ZINC000893198944 663400978 /nfs/dbraw/zinc/40/09/78/663400978.db2.gz JESFTWGTGVILPH-BLLLJJGKSA-N 1 1 375.523 2.959 20 30 GFEDMO CCCOc1c(Br)cc(C[NH2+][C@@H]2CCCN(O)C2=O)cc1OC ZINC000895166264 663501554 /nfs/dbraw/zinc/50/15/54/663501554.db2.gz QBGCZZYNNOYGHI-CYBMUJFWSA-N 1 1 387.274 2.716 20 30 GFEDMO CSc1ccc(CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc1C#N ZINC000924039958 664645115 /nfs/dbraw/zinc/64/51/15/664645115.db2.gz FRTWALDLXRRNHL-HOTGVXAUSA-N 1 1 376.551 2.659 20 30 GFEDMO C[C@](C#N)(NC(=O)C[NH2+][C@H]1CCOc2ccc(Br)cc21)C1CC1 ZINC000932207140 664813356 /nfs/dbraw/zinc/81/33/56/664813356.db2.gz HWKJYDLJCSMFPW-WMLDXEAASA-N 1 1 378.270 2.671 20 30 GFEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000932211523 664813913 /nfs/dbraw/zinc/81/39/13/664813913.db2.gz AMKKYWKHJATTIO-PBHICJAKSA-N 1 1 380.286 2.917 20 30 GFEDMO C=C(Br)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000948628234 665009550 /nfs/dbraw/zinc/00/95/50/665009550.db2.gz HEXZMLQJQNGWGU-NEXGVSGLSA-N 1 1 383.330 2.631 20 30 GFEDMO C=C(Br)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000948628234 665009552 /nfs/dbraw/zinc/00/95/52/665009552.db2.gz HEXZMLQJQNGWGU-NEXGVSGLSA-N 1 1 383.330 2.631 20 30 GFEDMO C=C(Br)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000948628233 665009560 /nfs/dbraw/zinc/00/95/60/665009560.db2.gz HEXZMLQJQNGWGU-JHMPBIJASA-N 1 1 383.330 2.631 20 30 GFEDMO C=C(Br)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000948628233 665009561 /nfs/dbraw/zinc/00/95/61/665009561.db2.gz HEXZMLQJQNGWGU-JHMPBIJASA-N 1 1 383.330 2.631 20 30 GFEDMO Cc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C#N ZINC001164842118 720548681 /nfs/dbraw/zinc/54/86/81/720548681.db2.gz WQRUDRWOLNGZIV-SOLBZPMBSA-N 1 1 399.930 2.884 20 30 GFEDMO CC(C)c1ccc(C#N)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164869491 721054324 /nfs/dbraw/zinc/05/43/24/721054324.db2.gz SZTAODCFQQSGFQ-VQTJNVASSA-N 1 1 377.492 2.951 20 30 GFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C)cc3C#N)C2)C1 ZINC001164778867 721337245 /nfs/dbraw/zinc/33/72/45/721337245.db2.gz ZMZVKKUZTWSZFD-JOCHJYFZSA-N 1 1 395.507 2.986 20 30 GFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C)cc3C#N)C2)C1 ZINC001164778867 721337249 /nfs/dbraw/zinc/33/72/49/721337249.db2.gz ZMZVKKUZTWSZFD-JOCHJYFZSA-N 1 1 395.507 2.986 20 30 GFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C#N)cn1)CC2 ZINC001164784426 721447424 /nfs/dbraw/zinc/44/74/24/721447424.db2.gz FFIPNXUBUPCZKQ-FQEVSTJZSA-N 1 1 384.524 2.687 20 30 GFEDMO N#Cc1ccc2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164898882 721519769 /nfs/dbraw/zinc/51/97/69/721519769.db2.gz JQASWXJVWLORKF-IEBWSBKVSA-N 1 1 389.434 2.982 20 30 GFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)cc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164794378 721523455 /nfs/dbraw/zinc/52/34/55/721523455.db2.gz CLRSTWWPVIJTNU-SQGPQFPESA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)cc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164794378 721523458 /nfs/dbraw/zinc/52/34/58/721523458.db2.gz CLRSTWWPVIJTNU-SQGPQFPESA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)cc(C#N)n2)[C@H]2CCCO[C@@H]12 ZINC001164806072 721547717 /nfs/dbraw/zinc/54/77/17/721547717.db2.gz NQVUPKIHHMZWGV-NLWGTHIKSA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2[nH]ccc3ncc(C#N)c2-3)[C@@H]2CCCO[C@@H]12 ZINC001164806330 721572064 /nfs/dbraw/zinc/57/20/64/721572064.db2.gz PVKHWBCEFOOYAG-SFHLNBCPSA-N 1 1 388.475 2.698 20 30 GFEDMO C=CC[NH+]1CCN(c2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)CC1 ZINC001165031787 721866882 /nfs/dbraw/zinc/86/68/82/721866882.db2.gz VZBMVAPQNXSQGI-UHFFFAOYSA-N 1 1 382.512 2.556 20 30 GFEDMO Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1CC#N ZINC001164972719 722145692 /nfs/dbraw/zinc/14/56/92/722145692.db2.gz AJVJBSBABBBLGG-SFTDATJTSA-N 1 1 377.492 2.578 20 30 GFEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000157616686 551540366 /nfs/dbraw/zinc/54/03/66/551540366.db2.gz IGRALWBBPHJRLP-GFCCVEGCSA-N 1 1 375.416 2.539 20 30 GFEDMO C[N@H+](CCOc1cccc(C#N)c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000157751313 551542432 /nfs/dbraw/zinc/54/24/32/551542432.db2.gz AQTCHDQPYXFKTH-QGZVFWFLSA-N 1 1 388.265 2.858 20 30 GFEDMO C[N@@H+](CCOc1cccc(C#N)c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000157751313 551542434 /nfs/dbraw/zinc/54/24/34/551542434.db2.gz AQTCHDQPYXFKTH-QGZVFWFLSA-N 1 1 388.265 2.858 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1 ZINC000171536535 551657669 /nfs/dbraw/zinc/65/76/69/551657669.db2.gz FUFOJXXGWIYOMH-UHFFFAOYSA-N 1 1 379.309 2.931 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000175788973 552129298 /nfs/dbraw/zinc/12/92/98/552129298.db2.gz VWUBQNFFNOZNIM-HNNXBMFYSA-N 1 1 384.977 2.983 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000178879077 552178352 /nfs/dbraw/zinc/17/83/52/552178352.db2.gz XNURSCCHHPNNIW-UHFFFAOYSA-N 1 1 377.279 2.517 20 30 GFEDMO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000181103045 552246317 /nfs/dbraw/zinc/24/63/17/552246317.db2.gz DTYDSCSSNJPHEG-INIZCTEOSA-N 1 1 385.302 2.555 20 30 GFEDMO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181103045 552246318 /nfs/dbraw/zinc/24/63/18/552246318.db2.gz DTYDSCSSNJPHEG-INIZCTEOSA-N 1 1 385.302 2.555 20 30 GFEDMO CSCC[C@@H](C)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000183190556 552302777 /nfs/dbraw/zinc/30/27/77/552302777.db2.gz YQUJEXJAMCRLSQ-CVEARBPZSA-N 1 1 380.583 2.530 20 30 GFEDMO N#Cc1ccsc1NC(=O)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000183881920 552321359 /nfs/dbraw/zinc/32/13/59/552321359.db2.gz NYXRXCVHUBDFCK-CYBMUJFWSA-N 1 1 380.267 2.644 20 30 GFEDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1ccccc1 ZINC000245613115 553094271 /nfs/dbraw/zinc/09/42/71/553094271.db2.gz CFPCXJIJYZUEBU-QZTJIDSGSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1ccccc1 ZINC000245613115 553094272 /nfs/dbraw/zinc/09/42/72/553094272.db2.gz CFPCXJIJYZUEBU-QZTJIDSGSA-N 1 1 375.881 2.935 20 30 GFEDMO C#CCn1ccc(C[N@H+](CC)C[C@@H](O)c2ccc(F)c(Br)c2)n1 ZINC000279677838 563305264 /nfs/dbraw/zinc/30/52/64/563305264.db2.gz GFOUZQNEOUNWOI-QGZVFWFLSA-N 1 1 380.261 2.973 20 30 GFEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H](O)c2ccc(F)c(Br)c2)n1 ZINC000279677838 563305268 /nfs/dbraw/zinc/30/52/68/563305268.db2.gz GFOUZQNEOUNWOI-QGZVFWFLSA-N 1 1 380.261 2.973 20 30 GFEDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000329274600 563477576 /nfs/dbraw/zinc/47/75/76/563477576.db2.gz BFBIWHLRMLATOE-ZDUSSCGKSA-N 1 1 384.311 2.661 20 30 GFEDMO C[N@@H+](CC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H]1CCSC1 ZINC000329491860 563481525 /nfs/dbraw/zinc/48/15/25/563481525.db2.gz SYSCYPFDCXLUIP-SWLSCSKDSA-N 1 1 385.892 2.978 20 30 GFEDMO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409589490 563566081 /nfs/dbraw/zinc/56/60/81/563566081.db2.gz RRWGLDRWEBRYRB-LBPRGKRZSA-N 1 1 375.416 2.730 20 30 GFEDMO C=CC[C@@H](CO)NC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413881773 563708947 /nfs/dbraw/zinc/70/89/47/563708947.db2.gz PRUONQOCGFSKGS-KRWDZBQOSA-N 1 1 396.329 2.650 20 30 GFEDMO Cc1cccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)c1C#N ZINC000443097672 563791691 /nfs/dbraw/zinc/79/16/91/563791691.db2.gz XPQWKMDFKKYOSP-UHFFFAOYSA-N 1 1 379.551 2.507 20 30 GFEDMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccsc1 ZINC000447242855 563877952 /nfs/dbraw/zinc/87/79/52/563877952.db2.gz FBGIGQLARDWUSU-OAHLLOKOSA-N 1 1 376.869 2.631 20 30 GFEDMO N#Cc1cnc2c(Br)cccc2c1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000369189537 563889475 /nfs/dbraw/zinc/88/94/75/563889475.db2.gz SCUKWWXJHGPDIK-AWEZNQCLSA-N 1 1 387.281 2.780 20 30 GFEDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)CCO1 ZINC000448941327 563903495 /nfs/dbraw/zinc/90/34/95/563903495.db2.gz LPVKGASMRHVSSS-CYBMUJFWSA-N 1 1 392.297 2.646 20 30 GFEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000449812391 564202910 /nfs/dbraw/zinc/20/29/10/564202910.db2.gz CRRSQPUKEHYEQL-AWEZNQCLSA-N 1 1 394.313 2.936 20 30 GFEDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450053907 564215685 /nfs/dbraw/zinc/21/56/85/564215685.db2.gz UKEZMIKZMZAFRU-GJZGRUSLSA-N 1 1 392.297 2.785 20 30 GFEDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000564353517 564230167 /nfs/dbraw/zinc/23/01/67/564230167.db2.gz ATUCYOGMFCLBMT-GFCCVEGCSA-N 1 1 377.432 2.976 20 30 GFEDMO CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000510713081 564344914 /nfs/dbraw/zinc/34/49/14/564344914.db2.gz QGHYIRJZSJQMPL-UHFFFAOYSA-N 1 1 381.885 2.947 20 30 GFEDMO N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000567336433 564367063 /nfs/dbraw/zinc/36/70/63/564367063.db2.gz LOXAQBYBQDTWEW-ZDUSSCGKSA-N 1 1 392.297 2.833 20 30 GFEDMO C=C(C)C[N@@H+](C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000481230183 564506827 /nfs/dbraw/zinc/50/68/27/564506827.db2.gz OSLRBZBUROQMKT-UHFFFAOYSA-N 1 1 382.302 2.662 20 30 GFEDMO C=C(C)C[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000481230183 564506831 /nfs/dbraw/zinc/50/68/31/564506831.db2.gz OSLRBZBUROQMKT-UHFFFAOYSA-N 1 1 382.302 2.662 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(F)cc1 ZINC000553912607 564745392 /nfs/dbraw/zinc/74/53/92/564745392.db2.gz RIEMAQRUDFSDPK-MRXNPFEDSA-N 1 1 381.860 2.932 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)CCc2ccccc2Br)CC1 ZINC000462099635 564819700 /nfs/dbraw/zinc/81/97/00/564819700.db2.gz GIORZNSNESLNPD-UHFFFAOYSA-N 1 1 387.343 2.561 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000558336805 564898288 /nfs/dbraw/zinc/89/82/88/564898288.db2.gz VOIPDQQTNHSSCH-IUODEOHRSA-N 1 1 381.929 2.515 20 30 GFEDMO N#CC1(NC(=O)C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CCC1 ZINC000561873876 565012075 /nfs/dbraw/zinc/01/20/75/565012075.db2.gz ZVXNEUMTKZDNGG-CYBMUJFWSA-N 1 1 375.778 2.544 20 30 GFEDMO C=CC[N@@H+](CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C)C1CC1 ZINC000537854610 565064143 /nfs/dbraw/zinc/06/41/43/565064143.db2.gz YGMGGJSAQPFPMV-UHFFFAOYSA-N 1 1 394.313 2.805 20 30 GFEDMO C=CC[N@H+](CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C)C1CC1 ZINC000537854610 565064144 /nfs/dbraw/zinc/06/41/44/565064144.db2.gz YGMGGJSAQPFPMV-UHFFFAOYSA-N 1 1 394.313 2.805 20 30 GFEDMO C[C@H](O)C[N@H+]1CCN(c2c(C#N)cnc3c(Br)cccc32)C[C@H]1C ZINC000619651188 565354192 /nfs/dbraw/zinc/35/41/92/565354192.db2.gz WAKPYFRVTMAIHV-OLZOCXBDSA-N 1 1 389.297 2.760 20 30 GFEDMO C=CC[C@]1(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CCC[NH2+]1 ZINC000662566525 565377236 /nfs/dbraw/zinc/37/72/36/565377236.db2.gz WBZSARFHUDJDJU-QGZVFWFLSA-N 1 1 390.285 2.549 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000594748752 565414098 /nfs/dbraw/zinc/41/40/98/565414098.db2.gz OCFGUYPDJHLULQ-HOTGVXAUSA-N 1 1 375.519 2.987 20 30 GFEDMO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000594792324 565421644 /nfs/dbraw/zinc/42/16/44/565421644.db2.gz PIPWZDKSNIETJN-CYBMUJFWSA-N 1 1 375.416 2.728 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000594792324 565421647 /nfs/dbraw/zinc/42/16/47/565421647.db2.gz PIPWZDKSNIETJN-CYBMUJFWSA-N 1 1 375.416 2.728 20 30 GFEDMO COc1ccc(Br)c([C@@H](CO)[N@H+](C)C[C@H](O)CC(C)(C)C#N)c1 ZINC000598620253 565629851 /nfs/dbraw/zinc/62/98/51/565629851.db2.gz KXQDEJRRWWIGCH-MLGOLLRUSA-N 1 1 385.302 2.724 20 30 GFEDMO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)C[C@H](O)CC(C)(C)C#N)c1 ZINC000598620253 565629856 /nfs/dbraw/zinc/62/98/56/565629856.db2.gz KXQDEJRRWWIGCH-MLGOLLRUSA-N 1 1 385.302 2.724 20 30 GFEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000602796642 565868120 /nfs/dbraw/zinc/86/81/20/565868120.db2.gz RIVMWXWCNKCIHR-AEFFLSMTSA-N 1 1 386.323 2.899 20 30 GFEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)c1 ZINC000602863466 565871302 /nfs/dbraw/zinc/87/13/02/565871302.db2.gz OGSDIYSXFXLEIM-NSHDSACASA-N 1 1 375.226 2.511 20 30 GFEDMO N#Cc1cc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)ccc1Cl ZINC000604031540 565922432 /nfs/dbraw/zinc/92/24/32/565922432.db2.gz IBTKVSNSICVMGW-UHFFFAOYSA-N 1 1 399.969 2.852 20 30 GFEDMO N#Cc1ccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)c(Cl)c3)CC2)cc1 ZINC000737711032 598507234 /nfs/dbraw/zinc/50/72/34/598507234.db2.gz DQOKGDYLRNUHKK-UHFFFAOYSA-N 1 1 379.855 2.714 20 30 GFEDMO C#CC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCc2ccccc21 ZINC000819702293 599636021 /nfs/dbraw/zinc/63/60/21/599636021.db2.gz XMAQIOFGDGJZPF-HXUWFJFHSA-N 1 1 386.459 2.818 20 30 GFEDMO Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)oc1C ZINC000738855693 600598477 /nfs/dbraw/zinc/59/84/77/600598477.db2.gz XNADIZKDOUUVMV-FQEVSTJZSA-N 1 1 382.464 2.791 20 30 GFEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000822842419 607059333 /nfs/dbraw/zinc/05/93/33/607059333.db2.gz HNRWNIYEPJHAMU-UHFFFAOYSA-N 1 1 377.427 2.590 20 30 GFEDMO N#Cc1cccc([C@@H]2C[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)CCO2)c1 ZINC000826386650 608071253 /nfs/dbraw/zinc/07/12/53/608071253.db2.gz NEDRMFCKQCVUKW-IBGZPJMESA-N 1 1 385.431 2.565 20 30 GFEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)CCO2)c1 ZINC000826386650 608071254 /nfs/dbraw/zinc/07/12/54/608071254.db2.gz NEDRMFCKQCVUKW-IBGZPJMESA-N 1 1 385.431 2.565 20 30 GFEDMO C[C@]1(C#N)CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C1 ZINC000824779967 608125881 /nfs/dbraw/zinc/12/58/81/608125881.db2.gz YRKQVZSEGMAQJS-LJQANCHMSA-N 1 1 399.524 2.761 20 30 GFEDMO C[C@]1(C#N)CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C1 ZINC000824779967 608125882 /nfs/dbraw/zinc/12/58/82/608125882.db2.gz YRKQVZSEGMAQJS-LJQANCHMSA-N 1 1 399.524 2.761 20 30 GFEDMO C=C(Br)CNC(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000126461959 654814233 /nfs/dbraw/zinc/81/42/33/654814233.db2.gz FGCDGJQWOXDIFN-UHFFFAOYSA-N 1 1 376.339 2.675 20 30 GFEDMO C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000067244441 654934529 /nfs/dbraw/zinc/93/45/29/654934529.db2.gz YMOCNPXWCXTXSC-HNNXBMFYSA-N 1 1 375.881 2.893 20 30 GFEDMO C=C(Br)CNC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000111842908 655177962 /nfs/dbraw/zinc/17/79/62/655177962.db2.gz CSFFKBVAVYIGDZ-UHFFFAOYSA-N 1 1 385.306 2.711 20 30 GFEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC1(Cl)Cl ZINC000119461195 655304544 /nfs/dbraw/zinc/30/45/44/655304544.db2.gz FHCLBJNBVJKNKO-KRWDZBQOSA-N 1 1 382.287 2.997 20 30 GFEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(Br)cc1C#N ZINC000298742597 655373952 /nfs/dbraw/zinc/37/39/52/655373952.db2.gz UBVISRCBKUDWCS-ZDUSSCGKSA-N 1 1 392.297 2.646 20 30 GFEDMO N#Cc1cccc(CS(=O)(=O)NC2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000365338903 655393878 /nfs/dbraw/zinc/39/38/78/655393878.db2.gz SDGYCMDQNHKKGU-UHFFFAOYSA-N 1 1 375.519 2.704 20 30 GFEDMO C#CCOc1ccc(Br)cc1C[NH2+]C1CCN(CCOC)CC1 ZINC000237106101 655425625 /nfs/dbraw/zinc/42/56/25/655425625.db2.gz KUUPBFXPOGLWIA-UHFFFAOYSA-N 1 1 381.314 2.662 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000756546687 655901819 /nfs/dbraw/zinc/90/18/19/655901819.db2.gz FIBYEWNQEPLABK-MRXNPFEDSA-N 1 1 388.265 2.889 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000756546687 655901822 /nfs/dbraw/zinc/90/18/22/655901822.db2.gz FIBYEWNQEPLABK-MRXNPFEDSA-N 1 1 388.265 2.889 20 30 GFEDMO C=C(Br)CNc1nc(NC)nc(NCC(=C)Br)[nH+]1 ZINC000758413141 655931912 /nfs/dbraw/zinc/93/19/12/655931912.db2.gz ULUQWKLFHYNASZ-UHFFFAOYSA-N 1 1 378.072 2.554 20 30 GFEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000778237652 656871158 /nfs/dbraw/zinc/87/11/58/656871158.db2.gz XWBQEEPTESLZRM-LLVKDONJSA-N 1 1 375.778 2.743 20 30 GFEDMO Cc1[nH+]c(C=Nn2c(C)c(Br)c(C)c(C#N)c2=O)c2ccccn12 ZINC000788456080 657723897 /nfs/dbraw/zinc/72/38/97/657723897.db2.gz XQRBYLIVYQXOBT-UHFFFAOYSA-N 1 1 384.237 2.938 20 30 GFEDMO O=C(NC[C@@H]1CCC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1)C(F)(F)F ZINC000810072469 659959481 /nfs/dbraw/zinc/95/94/81/659959481.db2.gz UEEWFXZKZIGLHF-VIFPVBQESA-N 1 1 386.283 2.591 20 30 GFEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)C1SCCS1 ZINC000842323642 661333459 /nfs/dbraw/zinc/33/34/59/661333459.db2.gz OKEFYHLCIUYHSL-UHFFFAOYSA-N 1 1 377.531 2.610 20 30 GFEDMO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000850369273 661773235 /nfs/dbraw/zinc/77/32/35/661773235.db2.gz SVTFBPZZEQYAMZ-DOMZBBRYSA-N 1 1 386.311 2.516 20 30 GFEDMO N#Cc1ccc2c(c1)C[C@H](NC(=O)c1sc3c(c1Br)C[NH2+]C3)C2 ZINC000868038381 662592186 /nfs/dbraw/zinc/59/21/86/662592186.db2.gz REUPFULNCXMISJ-GFCCVEGCSA-N 1 1 388.290 2.883 20 30 GFEDMO Cn1ncc(Br)c1CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000871723888 662732246 /nfs/dbraw/zinc/73/22/46/662732246.db2.gz QMGLYGXARTZTLU-UHFFFAOYSA-N 1 1 379.258 2.570 20 30 GFEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885284698 663088350 /nfs/dbraw/zinc/08/83/50/663088350.db2.gz XQOFAEIYZBIIMC-CIUDSAMLSA-N 1 1 380.279 2.710 20 30 GFEDMO C#CCOc1ccccc1C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894274264 663452022 /nfs/dbraw/zinc/45/20/22/663452022.db2.gz XJDBJQSPOGKUNL-UHFFFAOYSA-N 1 1 377.897 2.935 20 30 GFEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1 ZINC000903228782 663779380 /nfs/dbraw/zinc/77/93/80/663779380.db2.gz BFSFIJAWMCSKHK-ZDUSSCGKSA-N 1 1 394.946 2.526 20 30 GFEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1ccc(Cl)c(Cl)c1 ZINC000916309737 664456934 /nfs/dbraw/zinc/45/69/34/664456934.db2.gz GLVYATSDNZJTQV-UHFFFAOYSA-N 1 1 375.325 2.514 20 30 GFEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000932211525 664813957 /nfs/dbraw/zinc/81/39/57/664813957.db2.gz AMKKYWKHJATTIO-RHSMWYFYSA-N 1 1 380.286 2.917 20 30 GFEDMO C[C@@H]1[C@H](C(=O)N2C[C@@H](CNc3nc(C#N)c(Cl)s3)[C@H](C)C2)CC[N@H+]1C ZINC001054675387 677674669 /nfs/dbraw/zinc/67/46/69/677674669.db2.gz CCSCRGILLASYPF-FDYHWXHSSA-N 1 1 381.933 2.515 20 30 GFEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC001164643259 719215110 /nfs/dbraw/zinc/21/51/10/719215110.db2.gz YLQOWBJGNDDVMB-GHMZBOCLSA-N 1 1 386.830 2.857 20 30 GFEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC001164643259 719215116 /nfs/dbraw/zinc/21/51/16/719215116.db2.gz YLQOWBJGNDDVMB-GHMZBOCLSA-N 1 1 386.830 2.857 20 30 GFEDMO COc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ncc1C#N ZINC001164704342 719886178 /nfs/dbraw/zinc/88/61/78/719886178.db2.gz VLOWJHBZQLEWAF-UHFFFAOYSA-N 1 1 384.505 2.895 20 30 GFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C#N)cn1)CC2 ZINC001164710367 720092146 /nfs/dbraw/zinc/09/21/46/720092146.db2.gz JGWKVOHBSPXRSC-HXUWFJFHSA-N 1 1 377.492 2.856 20 30 GFEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cncc(CC#N)n1)CC2 ZINC001164839802 720706669 /nfs/dbraw/zinc/70/66/69/720706669.db2.gz NECNSKOVMKYWON-FQEVSTJZSA-N 1 1 377.492 2.803 20 30 GFEDMO Cc1cnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C#N)n1 ZINC001164839359 720709113 /nfs/dbraw/zinc/70/91/13/720709113.db2.gz LKUHKNFQPVWUBB-IBGZPJMESA-N 1 1 377.492 2.917 20 30 GFEDMO N#Cc1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742182 720813178 /nfs/dbraw/zinc/81/31/78/720813178.db2.gz CLFDLTJWOUORFB-CGTJXYLNSA-N 1 1 397.914 2.578 20 30 GFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)cc(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164794375 721523489 /nfs/dbraw/zinc/52/34/89/721523489.db2.gz CLRSTWWPVIJTNU-HLIPFELVSA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)cc(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164794375 721523491 /nfs/dbraw/zinc/52/34/91/721523491.db2.gz CLRSTWWPVIJTNU-HLIPFELVSA-N 1 1 383.883 2.870 20 30 GFEDMO N#Cc1cnc2cc[nH]c(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c1-2 ZINC001164912432 721548694 /nfs/dbraw/zinc/54/86/94/721548694.db2.gz ZSMNWZCQBFBBIM-WMZOPIPTSA-N 1 1 377.423 2.916 20 30 GFEDMO Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ccc1CC#N ZINC001164811282 721581752 /nfs/dbraw/zinc/58/17/52/721581752.db2.gz XCWLLNOLZHVGBL-URVUXULASA-N 1 1 377.492 2.719 20 30 GFEDMO C=CCNC(=O)c1cccnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955650 722021775 /nfs/dbraw/zinc/02/17/75/722021775.db2.gz LXMJGRRFRHUQFB-UHFFFAOYSA-N 1 1 391.519 2.885 20 30 GFEDMO N#Cc1c(Cl)ccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979944 722106972 /nfs/dbraw/zinc/10/69/72/722106972.db2.gz IMHYKRXIIWXIFB-QFBILLFUSA-N 1 1 383.883 2.729 20 30 GFEDMO N#Cc1cc(Cl)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977327 722111248 /nfs/dbraw/zinc/11/12/48/722111248.db2.gz MOAPSMWKGPGQSB-APWZRJJASA-N 1 1 383.883 2.729 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+](CCC)CC(=O)NC)cc1OC ZINC000092381726 551194517 /nfs/dbraw/zinc/19/45/17/551194517.db2.gz XYPRWYKWZWLSOS-UHFFFAOYSA-N 1 1 385.302 2.981 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](CCC)CC(=O)NC)cc1OC ZINC000092381726 551194518 /nfs/dbraw/zinc/19/45/18/551194518.db2.gz XYPRWYKWZWLSOS-UHFFFAOYSA-N 1 1 385.302 2.981 20 30 GFEDMO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000191787262 552537878 /nfs/dbraw/zinc/53/78/78/552537878.db2.gz VXSUOHAHCXVRPT-INIZCTEOSA-N 1 1 385.302 2.555 20 30 GFEDMO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000191787262 552537880 /nfs/dbraw/zinc/53/78/80/552537880.db2.gz VXSUOHAHCXVRPT-INIZCTEOSA-N 1 1 385.302 2.555 20 30 GFEDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000246394034 553106950 /nfs/dbraw/zinc/10/69/50/553106950.db2.gz SQHKARFMLPQERV-CABCVRRESA-N 1 1 398.326 2.568 20 30 GFEDMO N#Cc1c(NC(=O)CC[N@H+]2CCS[C@@H]3COCC[C@H]32)sc2c1CCC2 ZINC000246567466 553110330 /nfs/dbraw/zinc/11/03/30/553110330.db2.gz BQTALMXQDDCWIQ-GDBMZVCRSA-N 1 1 377.535 2.643 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](C[C@H](O)CO)C(C)C)cc1OC ZINC000421407627 563309454 /nfs/dbraw/zinc/30/94/54/563309454.db2.gz JQFUMLFZOIZCTC-AWEZNQCLSA-N 1 1 388.302 2.586 20 30 GFEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000329624623 563483588 /nfs/dbraw/zinc/48/35/88/563483588.db2.gz OGWJRRROSAKUHB-OAHLLOKOSA-N 1 1 382.302 2.872 20 30 GFEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000330015637 563494035 /nfs/dbraw/zinc/49/40/35/563494035.db2.gz OHIKRCOOSOYQGV-HIFRSBDPSA-N 1 1 386.279 2.776 20 30 GFEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000330015637 563494039 /nfs/dbraw/zinc/49/40/39/563494039.db2.gz OHIKRCOOSOYQGV-HIFRSBDPSA-N 1 1 386.279 2.776 20 30 GFEDMO N#Cc1cccc(NC(=O)C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000429011341 563507180 /nfs/dbraw/zinc/50/71/80/563507180.db2.gz RGSNFLMRTFHZTR-MRXNPFEDSA-N 1 1 392.228 2.722 20 30 GFEDMO N#Cc1ccc2ncc(C[NH2+][C@@H](CO)c3ccc(Br)c(F)c3)n2c1 ZINC000430132265 563534550 /nfs/dbraw/zinc/53/45/50/563534550.db2.gz NVJJGRKPBXWKOG-INIZCTEOSA-N 1 1 389.228 2.931 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1Br ZINC000332009509 563571459 /nfs/dbraw/zinc/57/14/59/563571459.db2.gz YYEYWYNNBTYIIK-ZDUSSCGKSA-N 1 1 398.326 2.616 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1Br ZINC000332009506 563571507 /nfs/dbraw/zinc/57/15/07/563571507.db2.gz YYEYWYNNBTYIIK-CYBMUJFWSA-N 1 1 398.326 2.616 20 30 GFEDMO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000433010602 563601369 /nfs/dbraw/zinc/60/13/69/563601369.db2.gz YBOUPJXZNCKQSN-NSHDSACASA-N 1 1 377.242 2.849 20 30 GFEDMO N#CCCN(C(=O)C[N@@H+](CCO)[C@@H]1CCCSC1)c1cccc(Cl)c1 ZINC000433199919 563606599 /nfs/dbraw/zinc/60/65/99/563606599.db2.gz FLISMCVCYWPSMH-QGZVFWFLSA-N 1 1 381.929 2.777 20 30 GFEDMO N#CCCN(C(=O)C[N@H+](CCO)[C@@H]1CCCSC1)c1cccc(Cl)c1 ZINC000433199919 563606601 /nfs/dbraw/zinc/60/66/01/563606601.db2.gz FLISMCVCYWPSMH-QGZVFWFLSA-N 1 1 381.929 2.777 20 30 GFEDMO C[NH+](C)Cc1ccc(NC(=O)C(=O)NCC(C)(C)CC#N)cc1Br ZINC000411637740 563626978 /nfs/dbraw/zinc/62/69/78/563626978.db2.gz CYZNHCLRKGHYDU-UHFFFAOYSA-N 1 1 395.301 2.505 20 30 GFEDMO C[N@@H+]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000414467089 563741743 /nfs/dbraw/zinc/74/17/43/563741743.db2.gz VYFZJPHOTYTYMZ-WBVHZDCISA-N 1 1 375.881 2.588 20 30 GFEDMO C[N@H+]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000414467089 563741749 /nfs/dbraw/zinc/74/17/49/563741749.db2.gz VYFZJPHOTYTYMZ-WBVHZDCISA-N 1 1 375.881 2.588 20 30 GFEDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cccc(C#N)c3Br)CC2)CCO1 ZINC000448943622 563903502 /nfs/dbraw/zinc/90/35/02/563903502.db2.gz YGRDINOGCPFZIL-CYBMUJFWSA-N 1 1 392.297 2.646 20 30 GFEDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000563483525 564193359 /nfs/dbraw/zinc/19/33/59/564193359.db2.gz VAQVTUSCWTWTAN-GFCCVEGCSA-N 1 1 388.331 2.719 20 30 GFEDMO CN(C(=O)COc1cccc(Br)c1C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000451697136 564340991 /nfs/dbraw/zinc/34/09/91/564340991.db2.gz QMCSAKBSGMNZCY-PBWFPOADSA-N 1 1 392.297 2.783 20 30 GFEDMO N#CC1(CS(=O)(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000545207476 564413445 /nfs/dbraw/zinc/41/34/45/564413445.db2.gz GMAZLXDLZKNLHC-QGZVFWFLSA-N 1 1 381.929 2.918 20 30 GFEDMO N#CC1(CS(=O)(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC000545207476 564413447 /nfs/dbraw/zinc/41/34/47/564413447.db2.gz GMAZLXDLZKNLHC-QGZVFWFLSA-N 1 1 381.929 2.918 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1F ZINC000489015711 564726895 /nfs/dbraw/zinc/72/68/95/564726895.db2.gz MDHMIGMQANVCEU-MRXNPFEDSA-N 1 1 379.482 2.874 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000459867808 564763623 /nfs/dbraw/zinc/76/36/23/564763623.db2.gz WNCSGBOEYGINHC-AWEZNQCLSA-N 1 1 383.945 2.859 20 30 GFEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000592185336 565261887 /nfs/dbraw/zinc/26/18/87/565261887.db2.gz OXMHWHJMSNDECQ-CQSZACIVSA-N 1 1 390.203 2.821 20 30 GFEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000592185336 565261892 /nfs/dbraw/zinc/26/18/92/565261892.db2.gz OXMHWHJMSNDECQ-CQSZACIVSA-N 1 1 390.203 2.821 20 30 GFEDMO Cc1ccsc1S(=O)(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593669154 565354997 /nfs/dbraw/zinc/35/49/97/565354997.db2.gz UKVXWAMIOXTYKE-UHFFFAOYSA-N 1 1 375.519 2.871 20 30 GFEDMO N#CCCCC[C@H]([NH3+])C(=O)Nc1nc2ccc(I)cc2[nH]1 ZINC000595260318 565460171 /nfs/dbraw/zinc/46/01/71/565460171.db2.gz ZQRJCGKVTCQSHE-JTQLQIEISA-N 1 1 397.220 2.517 20 30 GFEDMO N#Cc1cc(Br)ccc1CC(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597576582 565565197 /nfs/dbraw/zinc/56/51/97/565565197.db2.gz VUNGMAIUKYARSJ-JKSUJKDBSA-N 1 1 380.261 2.508 20 30 GFEDMO C[NH+](C)C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000599627794 565693627 /nfs/dbraw/zinc/69/36/27/565693627.db2.gz OLCQRNGVNJZLTJ-FUHWJXTLSA-N 1 1 383.323 2.994 20 30 GFEDMO CC(C)[C@@H](C#N)N1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000609538025 566042755 /nfs/dbraw/zinc/04/27/55/566042755.db2.gz JJVOOADWRGYJQW-NVXWUHKLSA-N 1 1 386.323 2.899 20 30 GFEDMO C#Cc1ccc(C[NH+]2CCC(n3nncc3I)CC2)cc1 ZINC000827280071 660487581 /nfs/dbraw/zinc/48/75/81/660487581.db2.gz DCROGUZQIJVEOE-UHFFFAOYSA-N 1 1 392.244 2.701 20 30 GFEDMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccsc1 ZINC000041650568 654628862 /nfs/dbraw/zinc/62/88/62/654628862.db2.gz RAWWTHZTKWFCJM-HNNXBMFYSA-N 1 1 376.869 2.631 20 30 GFEDMO Cn1cc(CC[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cn1 ZINC000272401465 655111597 /nfs/dbraw/zinc/11/15/97/655111597.db2.gz XGSYYPRZMYOSLR-GOSISDBHSA-N 1 1 388.313 2.608 20 30 GFEDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000173323753 655168454 /nfs/dbraw/zinc/16/84/54/655168454.db2.gz LQNAJRCXADPJAZ-MAUKXSAKSA-N 1 1 375.519 2.981 20 30 GFEDMO C[NH+]=C(NCCc1ccc(Br)cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000176163913 655237916 /nfs/dbraw/zinc/23/79/16/655237916.db2.gz IGQDPOHBLJUASD-QGZVFWFLSA-N 1 1 377.330 2.513 20 30 GFEDMO C[N@@H+](CCOCCC#N)Cc1cccc(Br)c1OCC(C)(C)O ZINC000292760082 655354241 /nfs/dbraw/zinc/35/42/41/655354241.db2.gz AAEYPJNDRSROBN-UHFFFAOYSA-N 1 1 385.302 2.961 20 30 GFEDMO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(Br)cc3)CC2)nc1 ZINC000728914884 655559769 /nfs/dbraw/zinc/55/97/69/655559769.db2.gz YJTLDYXQEFLDFX-QGZVFWFLSA-N 1 1 387.281 2.571 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc(C)ccc1I ZINC000729812126 655568906 /nfs/dbraw/zinc/56/89/06/655568906.db2.gz MGRDCJFJDPIERN-ZDUSSCGKSA-N 1 1 383.229 2.854 20 30 GFEDMO C#CCC[NH+]1CCN(Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000776593762 656764346 /nfs/dbraw/zinc/76/43/46/656764346.db2.gz ZLHDPFZCJHKOLN-UHFFFAOYSA-N 1 1 389.297 2.564 20 30 GFEDMO C#CCC[NH+]1CCN(Cc2nnc(-c3ccc(Br)s3)o2)CC1 ZINC000776593761 656764431 /nfs/dbraw/zinc/76/44/31/656764431.db2.gz ZLFOYJDWEVKOQP-UHFFFAOYSA-N 1 1 381.299 2.702 20 30 GFEDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000787256159 657532493 /nfs/dbraw/zinc/53/24/93/657532493.db2.gz YVCPFXPJKNUGKQ-GFCCVEGCSA-N 1 1 380.286 2.928 20 30 GFEDMO Brc1cccc2c1OCCCC2=NNCCC[NH+]1CCOCC1 ZINC000799487697 659193677 /nfs/dbraw/zinc/19/36/77/659193677.db2.gz YEZCBOOBUIHHIT-UHFFFAOYSA-N 1 1 382.302 2.638 20 30 GFEDMO CCCCCCCS(=O)(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000799766647 659223432 /nfs/dbraw/zinc/22/34/32/659223432.db2.gz PUJPQTRLICBTFV-KRWDZBQOSA-N 1 1 387.615 2.926 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000815940455 660136718 /nfs/dbraw/zinc/13/67/18/660136718.db2.gz VYYABYWCTVIRSD-INIZCTEOSA-N 1 1 388.265 2.889 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000815940455 660136721 /nfs/dbraw/zinc/13/67/21/660136721.db2.gz VYYABYWCTVIRSD-INIZCTEOSA-N 1 1 388.265 2.889 20 30 GFEDMO C#CCC[N@@H+](CCOC)Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000853621313 661895341 /nfs/dbraw/zinc/89/53/41/661895341.db2.gz YGOXMAAWOHGULU-UHFFFAOYSA-N 1 1 394.269 2.515 20 30 GFEDMO C#CCC[N@H+](CCOC)Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000853621313 661895342 /nfs/dbraw/zinc/89/53/42/661895342.db2.gz YGOXMAAWOHGULU-UHFFFAOYSA-N 1 1 394.269 2.515 20 30 GFEDMO C=CC[C@H](C(=O)OC)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000878214474 662891743 /nfs/dbraw/zinc/89/17/43/662891743.db2.gz UQRAMTWIHCUKOE-CQSZACIVSA-N 1 1 396.285 2.612 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886803625 663119307 /nfs/dbraw/zinc/11/93/07/663119307.db2.gz LLKRODCZMGXTTF-CJNGLKHVSA-N 1 1 376.444 2.898 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886803625 663119308 /nfs/dbraw/zinc/11/93/08/663119308.db2.gz LLKRODCZMGXTTF-CJNGLKHVSA-N 1 1 376.444 2.898 20 30 GFEDMO Cn1ncc(I)c1C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000894589445 663470369 /nfs/dbraw/zinc/47/03/69/663470369.db2.gz RXHGLVSPYMIXHW-CQSZACIVSA-N 1 1 378.217 2.673 20 30 GFEDMO COc1cc(C[NH2+][C@H]2CCCN(O)C2=O)cc(Br)c1OC(F)F ZINC000895164154 663501277 /nfs/dbraw/zinc/50/12/77/663501277.db2.gz DCWAVSRBIGAYEA-JTQLQIEISA-N 1 1 395.200 2.529 20 30 GFEDMO Cn1cc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(Br)n1 ZINC000903188863 663777645 /nfs/dbraw/zinc/77/76/45/663777645.db2.gz ZMGQNQZDUBJNLD-UHFFFAOYSA-N 1 1 388.313 2.808 20 30 GFEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000914199454 664384876 /nfs/dbraw/zinc/38/48/76/664384876.db2.gz IWZSYKVGBBPMRY-QGZVFWFLSA-N 1 1 375.519 2.656 20 30 GFEDMO C=C(Br)CNC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000914418262 664408636 /nfs/dbraw/zinc/40/86/36/664408636.db2.gz FYVHPSWXLNQMPS-UHFFFAOYSA-N 1 1 396.329 2.875 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)Cc1csc(C#N)c1)c1ccc(Cl)cc1 ZINC000915342587 664428349 /nfs/dbraw/zinc/42/83/49/664428349.db2.gz YGHTWZHULHBZES-INIZCTEOSA-N 1 1 383.926 2.995 20 30 GFEDMO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000932212257 664813926 /nfs/dbraw/zinc/81/39/26/664813926.db2.gz OROROHGHPYAZKI-OAHLLOKOSA-N 1 1 391.269 2.518 20 30 GFEDMO C[C@H]1C[C@@H](NC(=O)Nc2ccc(C#N)cc2I)CC[N@H+]1C ZINC000932557410 664828661 /nfs/dbraw/zinc/82/86/61/664828661.db2.gz KRCKRXDRJGBDQF-JQWIXIFHSA-N 1 1 398.248 2.767 20 30 GFEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2snc(Cl)c2C#N)CC[N@H+]1C ZINC001046125631 665076860 /nfs/dbraw/zinc/07/68/60/665076860.db2.gz RPFRNCRBPIPKPT-HBJVGIJOSA-N 1 1 381.933 2.848 20 30 GFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc(C#N)c(C)n1)CC2 ZINC001164712501 720134474 /nfs/dbraw/zinc/13/44/74/720134474.db2.gz MVHMJKIUTAXZAK-LJQANCHMSA-N 1 1 392.507 2.559 20 30 GFEDMO CSc1nc(Cl)c(C#N)c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164724891 720327753 /nfs/dbraw/zinc/32/77/53/720327753.db2.gz LKJDRGOSOGIPCO-GJZGRUSLSA-N 1 1 386.912 2.972 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc5c(c4C#N)CCCC5)C[C@@H]3C2)cn1 ZINC001164766755 721243850 /nfs/dbraw/zinc/24/38/50/721243850.db2.gz VIYWWRPITILFFT-MOPGFXCFSA-N 1 1 376.508 2.524 20 30 GFEDMO N#Cc1cc2nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)ccc2[nH]1 ZINC001164910424 721550607 /nfs/dbraw/zinc/55/06/07/721550607.db2.gz WSCDTNCANWNRHZ-WMZOPIPTSA-N 1 1 377.423 2.916 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3[nH]c(C#N)cc3n2)[C@H]2CCCO[C@H]12 ZINC001164809876 721574393 /nfs/dbraw/zinc/57/43/93/721574393.db2.gz XSLZVFOXEZZNRP-VWPQPMDRSA-N 1 1 388.475 2.698 20 30 GFEDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000123589134 551307005 /nfs/dbraw/zinc/30/70/05/551307005.db2.gz PGOIDVCUQFGQLJ-LBPRGKRZSA-N 1 1 375.416 2.539 20 30 GFEDMO CC(C)(C)[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCS(C)(=O)=O ZINC000155033376 551489295 /nfs/dbraw/zinc/48/92/95/551489295.db2.gz BOGWVVRMLWDMDV-UHFFFAOYSA-N 1 1 385.917 2.685 20 30 GFEDMO C=CC[N@@H+](C)CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000194045264 553010542 /nfs/dbraw/zinc/01/05/42/553010542.db2.gz PVELZGBJFCOGRR-UHFFFAOYSA-N 1 1 376.810 2.520 20 30 GFEDMO C=CC[N@H+](C)CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000194045264 553010546 /nfs/dbraw/zinc/01/05/46/553010546.db2.gz PVELZGBJFCOGRR-UHFFFAOYSA-N 1 1 376.810 2.520 20 30 GFEDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)[C@H]1c1ccccc1 ZINC000245622289 553093893 /nfs/dbraw/zinc/09/38/93/553093893.db2.gz FMGUIMMXPWTCFJ-SJLPKXTDSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)[C@H]1c1ccccc1 ZINC000245622289 553093897 /nfs/dbraw/zinc/09/38/97/553093897.db2.gz FMGUIMMXPWTCFJ-SJLPKXTDSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)[C@H]1c1ccccc1 ZINC000245622281 553094264 /nfs/dbraw/zinc/09/42/64/553094264.db2.gz FMGUIMMXPWTCFJ-FUHWJXTLSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)[C@H]1c1ccccc1 ZINC000245622281 553094265 /nfs/dbraw/zinc/09/42/65/553094265.db2.gz FMGUIMMXPWTCFJ-FUHWJXTLSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc(F)c(C#N)c2)[C@H]1c1cccs1 ZINC000369540949 563216428 /nfs/dbraw/zinc/21/64/28/563216428.db2.gz QYISFIWLUZNGFA-PXAZEXFGSA-N 1 1 379.482 2.730 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)cc1OC ZINC000280259839 563329326 /nfs/dbraw/zinc/32/93/26/563329326.db2.gz LUAYNUOTTSBYEA-QGZVFWFLSA-N 1 1 383.286 2.720 20 30 GFEDMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000330404788 563504303 /nfs/dbraw/zinc/50/43/03/563504303.db2.gz VVKGTNINZHXCLK-ZDUSSCGKSA-N 1 1 375.416 2.682 20 30 GFEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)[C@H](C)C1 ZINC000330581899 563512021 /nfs/dbraw/zinc/51/20/21/563512021.db2.gz QTUBGWIQIGZVND-ZJUUUORDSA-N 1 1 392.244 2.660 20 30 GFEDMO CC[C@H]1CN(C(=O)Nc2ccc(F)c(Br)c2)CC[N@H+]1C[C@H](C)O ZINC000330639163 563514946 /nfs/dbraw/zinc/51/49/46/563514946.db2.gz DKVHFQYXKZHHOX-AAEUAGOBSA-N 1 1 388.281 2.911 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000380661378 563515754 /nfs/dbraw/zinc/51/57/54/563515754.db2.gz APHVVOZIHHSQMC-INIZCTEOSA-N 1 1 375.881 2.764 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000380661378 563515756 /nfs/dbraw/zinc/51/57/56/563515756.db2.gz APHVVOZIHHSQMC-INIZCTEOSA-N 1 1 375.881 2.764 20 30 GFEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2csc(Br)c2)c1 ZINC000397372277 563532014 /nfs/dbraw/zinc/53/20/14/563532014.db2.gz HQGPDVFLNZWPDR-UHFFFAOYSA-N 1 1 385.308 2.946 20 30 GFEDMO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000433010601 563600980 /nfs/dbraw/zinc/60/09/80/563600980.db2.gz YBOUPJXZNCKQSN-LLVKDONJSA-N 1 1 377.242 2.849 20 30 GFEDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435153125 563644056 /nfs/dbraw/zinc/64/40/56/563644056.db2.gz FVPDMQMLAWKITR-CYBMUJFWSA-N 1 1 375.416 2.730 20 30 GFEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)COc3ccc(C#N)c(Br)c3)CC[C@@H]21 ZINC000450147828 564218840 /nfs/dbraw/zinc/21/88/40/564218840.db2.gz OICJITWDJZJFHP-PBHICJAKSA-N 1 1 392.297 2.642 20 30 GFEDMO CCC[N@@H+](C)[C@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000509623043 564305726 /nfs/dbraw/zinc/30/57/26/564305726.db2.gz DGGFWEPQFQRRCG-RHSMWYFYSA-N 1 1 386.949 2.649 20 30 GFEDMO N#Cc1ccc(NC(=O)C[NH2+][C@@H](CCO)c2ccccc2Br)cc1 ZINC000542879761 564329989 /nfs/dbraw/zinc/32/99/89/564329989.db2.gz LWVQRLCPCLMNBI-KRWDZBQOSA-N 1 1 388.265 2.973 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)CC[NH+]1CCN(CC)CC1 ZINC000458042998 564685480 /nfs/dbraw/zinc/68/54/80/564685480.db2.gz USBPXDONVLZSIH-UHFFFAOYSA-N 1 1 396.329 2.980 20 30 GFEDMO C[N@@H+]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000498849230 564910331 /nfs/dbraw/zinc/91/03/31/564910331.db2.gz HIRRCRUQDGBTKR-AEFFLSMTSA-N 1 1 375.881 2.588 20 30 GFEDMO C[N@H+]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000498849230 564910335 /nfs/dbraw/zinc/91/03/35/564910335.db2.gz HIRRCRUQDGBTKR-AEFFLSMTSA-N 1 1 375.881 2.588 20 30 GFEDMO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000498850323 564910474 /nfs/dbraw/zinc/91/04/74/564910474.db2.gz AHVQTLAZCYAGFW-FUHWJXTLSA-N 1 1 375.881 2.588 20 30 GFEDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000498850323 564910477 /nfs/dbraw/zinc/91/04/77/564910477.db2.gz AHVQTLAZCYAGFW-FUHWJXTLSA-N 1 1 375.881 2.588 20 30 GFEDMO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)C1=O ZINC000499601834 564931906 /nfs/dbraw/zinc/93/19/06/564931906.db2.gz FTQDRRIJEVLZBJ-SMDDNHRTSA-N 1 1 381.270 2.658 20 30 GFEDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccsc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000593561034 565341849 /nfs/dbraw/zinc/34/18/49/565341849.db2.gz YLCQDGBQLVZFFG-ZBFHGGJFSA-N 1 1 375.519 2.951 20 30 GFEDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3ccc(Br)cc3C#N)C2)C1 ZINC000593728638 565358565 /nfs/dbraw/zinc/35/85/65/565358565.db2.gz AQCQQVHOIJDCAJ-GOSISDBHSA-N 1 1 376.298 2.808 20 30 GFEDMO N#Cc1ccc(OCC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000594198938 565378588 /nfs/dbraw/zinc/37/85/88/565378588.db2.gz VVPZMAPWDNZMOG-IRXDYDNUSA-N 1 1 392.297 2.833 20 30 GFEDMO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594485125 565394425 /nfs/dbraw/zinc/39/44/25/565394425.db2.gz WVLGEAUDYOYFRO-GJZGRUSLSA-N 1 1 398.326 2.616 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000594770497 565418376 /nfs/dbraw/zinc/41/83/76/565418376.db2.gz HDUZSNUAUQCNFN-GDBMZVCRSA-N 1 1 375.519 2.796 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000594770497 565418378 /nfs/dbraw/zinc/41/83/78/565418378.db2.gz HDUZSNUAUQCNFN-GDBMZVCRSA-N 1 1 375.519 2.796 20 30 GFEDMO N#CC1(C[C@@H](O)C[NH2+]Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000600736068 565746502 /nfs/dbraw/zinc/74/65/02/565746502.db2.gz PSYRGEZFJQVNSA-CYBMUJFWSA-N 1 1 377.242 2.643 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@]2(CO)CCOC2)cc1OC ZINC000628366253 565785986 /nfs/dbraw/zinc/78/59/86/565785986.db2.gz GSADNGRDGOQUDX-QGZVFWFLSA-N 1 1 386.286 2.606 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672306979 565801840 /nfs/dbraw/zinc/80/18/40/565801840.db2.gz HOXGAKKELAQUOE-AWEZNQCLSA-N 1 1 381.929 2.517 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cccc(F)c1 ZINC000603660742 565912463 /nfs/dbraw/zinc/91/24/63/565912463.db2.gz WCTQFDGVVVOHSH-KRWDZBQOSA-N 1 1 381.860 2.932 20 30 GFEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000735408543 598866225 /nfs/dbraw/zinc/86/62/25/598866225.db2.gz NSWCYWRHTGYMNW-UHFFFAOYSA-N 1 1 394.483 2.669 20 30 GFEDMO CC(C)C[N@@H+](CCC#N)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000735827337 598989008 /nfs/dbraw/zinc/98/90/08/598989008.db2.gz KOAULQMBFSCPIN-UHFFFAOYSA-N 1 1 387.513 2.617 20 30 GFEDMO N#Cc1cc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)ccc1F ZINC000822819355 606971426 /nfs/dbraw/zinc/97/14/26/606971426.db2.gz RBOKOIWIGOOHHI-UHFFFAOYSA-N 1 1 378.411 2.921 20 30 GFEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000826384687 608509332 /nfs/dbraw/zinc/50/93/32/608509332.db2.gz FQGQQCRCGZOSJD-UHFFFAOYSA-N 1 1 379.493 2.508 20 30 GFEDMO C=C(Cl)CSc1nc(C)c(CC(=O)NCCC[NH+]2CCOCC2)s1 ZINC000818997497 660242707 /nfs/dbraw/zinc/24/27/07/660242707.db2.gz BVBUEVVOAGMORU-UHFFFAOYSA-N 1 1 389.974 2.677 20 30 GFEDMO C=C(Cl)CSc1nc(C)c(CC(=O)NCc2c[nH+]c(N(C)C)n2C)s1 ZINC000819277956 660253346 /nfs/dbraw/zinc/25/33/46/660253346.db2.gz QFTZUBJSLNCVBH-UHFFFAOYSA-N 1 1 399.973 2.955 20 30 GFEDMO N#Cc1ccc(OCC(=O)O[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000835397227 660854971 /nfs/dbraw/zinc/85/49/71/660854971.db2.gz RVFAEJFBGVPUAE-UKRRQHHQSA-N 1 1 379.254 2.870 20 30 GFEDMO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000922160617 664588172 /nfs/dbraw/zinc/58/81/72/664588172.db2.gz XBGHJGIAGPNNRO-BDAKNGLRSA-N 1 1 379.096 2.861 20 30 GFEDMO N#Cc1ccc(OCC[NH+]2CCN(c3ccc(Br)cn3)CC2)cc1 ZINC000106120969 655103816 /nfs/dbraw/zinc/10/38/16/655103816.db2.gz KKHRPECOMJSMAY-UHFFFAOYSA-N 1 1 387.281 2.917 20 30 GFEDMO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@@](=O)C1 ZINC000277282326 655311057 /nfs/dbraw/zinc/31/10/57/655311057.db2.gz BFDZPHPVSKEMDR-ZJWNCGCPSA-N 1 1 379.551 2.528 20 30 GFEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@@](=O)C1 ZINC000277282326 655311059 /nfs/dbraw/zinc/31/10/59/655311059.db2.gz BFDZPHPVSKEMDR-ZJWNCGCPSA-N 1 1 379.551 2.528 20 30 GFEDMO C[C@@]1(CNS(=O)(=O)c2ccc(C#N)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310921560 655379264 /nfs/dbraw/zinc/37/92/64/655379264.db2.gz RHGVAEBXOLTCHU-SFHVURJKSA-N 1 1 375.519 2.810 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1scc(Br)c1Br ZINC000705410654 655522075 /nfs/dbraw/zinc/52/20/75/655522075.db2.gz UBQCVSCABJSVAH-UHFFFAOYSA-N 1 1 394.132 2.958 20 30 GFEDMO CC[NH+]1CCN(C[C@H](C)CNC(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000726480088 655535440 /nfs/dbraw/zinc/53/54/40/655535440.db2.gz FVPWSDXYIKYXBT-CQSZACIVSA-N 1 1 379.961 2.772 20 30 GFEDMO C#CCOc1ccc(Br)cc1CNC[C@@]1([NH+](C)C)CCSC1 ZINC000748243437 655788928 /nfs/dbraw/zinc/78/89/28/655788928.db2.gz GNRJBSZQTLNYNV-KRWDZBQOSA-N 1 1 383.355 2.988 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCCc1ccc(Br)cc1OC ZINC000752321553 655842429 /nfs/dbraw/zinc/84/24/29/655842429.db2.gz JVGUSXDVLMYIAM-INIZCTEOSA-N 1 1 379.298 2.604 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCc1ccc(Br)cc1OC ZINC000752321553 655842430 /nfs/dbraw/zinc/84/24/30/655842430.db2.gz JVGUSXDVLMYIAM-INIZCTEOSA-N 1 1 379.298 2.604 20 30 GFEDMO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000783531178 657237602 /nfs/dbraw/zinc/23/76/02/657237602.db2.gz HRRAPWDNFYMRPM-OAHLLOKOSA-N 1 1 385.551 2.654 20 30 GFEDMO Cc1cc(Br)cn2c(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)cnc12 ZINC000783864738 657266728 /nfs/dbraw/zinc/26/67/28/657266728.db2.gz ZJQSJTKAAUDHMX-ZIAGYGMSSA-N 1 1 375.274 2.599 20 30 GFEDMO C=CCC[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Br)C1=O ZINC000786100820 657406767 /nfs/dbraw/zinc/40/67/67/657406767.db2.gz ANKZNKLCJOFZMT-INIZCTEOSA-N 1 1 384.249 2.821 20 30 GFEDMO C=CCC[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Br)C1=O ZINC000786100820 657406773 /nfs/dbraw/zinc/40/67/73/657406773.db2.gz ANKZNKLCJOFZMT-INIZCTEOSA-N 1 1 384.249 2.821 20 30 GFEDMO C=CCC[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc(F)cc2Br)C1=O ZINC000786100821 657406948 /nfs/dbraw/zinc/40/69/48/657406948.db2.gz ANKZNKLCJOFZMT-MRXNPFEDSA-N 1 1 384.249 2.821 20 30 GFEDMO C=CCC[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(F)cc2Br)C1=O ZINC000786100821 657406955 /nfs/dbraw/zinc/40/69/55/657406955.db2.gz ANKZNKLCJOFZMT-MRXNPFEDSA-N 1 1 384.249 2.821 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809815668 659941334 /nfs/dbraw/zinc/94/13/34/659941334.db2.gz NNYNFCMDKJJSKU-UHFFFAOYSA-N 1 1 394.280 2.830 20 30 GFEDMO CC(N=Nc1ncc(Br)cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000848421044 661646744 /nfs/dbraw/zinc/64/67/44/661646744.db2.gz QLSZCRYRHNQMGH-INIZCTEOSA-N 1 1 390.285 2.928 20 30 GFEDMO CC(N=Nc1ncc(Br)cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000848421044 661646749 /nfs/dbraw/zinc/64/67/49/661646749.db2.gz QLSZCRYRHNQMGH-INIZCTEOSA-N 1 1 390.285 2.928 20 30 GFEDMO C#CC[N@@H+](C[C@@H](O)CC1(O)CCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000859140178 662140297 /nfs/dbraw/zinc/14/02/97/662140297.db2.gz KSSICNIZMYVUEK-RDJZCZTQSA-N 1 1 394.309 2.874 20 30 GFEDMO C#CC[N@H+](C[C@@H](O)CC1(O)CCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000859140178 662140299 /nfs/dbraw/zinc/14/02/99/662140299.db2.gz KSSICNIZMYVUEK-RDJZCZTQSA-N 1 1 394.309 2.874 20 30 GFEDMO Cn1ccnc(N=NC2CC[N@H+](C)[C@H](c3ccc(Br)cc3)C2)c1=O ZINC000863098079 662311801 /nfs/dbraw/zinc/31/18/01/662311801.db2.gz YXHJKAPSJRPZGD-HNNXBMFYSA-N 1 1 390.285 2.778 20 30 GFEDMO Cn1ccnc(N=NC2CC[N@@H+](C)[C@H](c3ccc(Br)cc3)C2)c1=O ZINC000863098079 662311804 /nfs/dbraw/zinc/31/18/04/662311804.db2.gz YXHJKAPSJRPZGD-HNNXBMFYSA-N 1 1 390.285 2.778 20 30 GFEDMO C#CCCOc1ccc(C[NH2+]Cc2c(I)cnn2C)cc1 ZINC000865868414 662448683 /nfs/dbraw/zinc/44/86/83/662448683.db2.gz NYXLMDSDGMGRHO-UHFFFAOYSA-N 1 1 395.244 2.717 20 30 GFEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](COC)c1cccc(Br)c1 ZINC000879662548 662934899 /nfs/dbraw/zinc/93/48/99/662934899.db2.gz CTJJSLYZVPDNSH-CZUORRHYSA-N 1 1 382.302 2.734 20 30 GFEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](COC)c1cccc(Br)c1 ZINC000879662547 662934960 /nfs/dbraw/zinc/93/49/60/662934960.db2.gz CTJJSLYZVPDNSH-CJNGLKHVSA-N 1 1 382.302 2.734 20 30 GFEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883095810 663048954 /nfs/dbraw/zinc/04/89/54/663048954.db2.gz NVRZETHANQCAGC-GFCCVEGCSA-N 1 1 380.290 2.815 20 30 GFEDMO Cn1ncc(I)c1C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000894589444 663470450 /nfs/dbraw/zinc/47/04/50/663470450.db2.gz RXHGLVSPYMIXHW-AWEZNQCLSA-N 1 1 378.217 2.673 20 30 GFEDMO COc1cc(C=NN2CC[NH+](C)CC2)cc(Br)c1OC(F)F ZINC000917530687 664485779 /nfs/dbraw/zinc/48/57/79/664485779.db2.gz VNUOTSBTDGUHBQ-UHFFFAOYSA-N 1 1 378.217 2.640 20 30 GFEDMO Cc1ccc(C[N@H+]2CC[C@@H](NS(=O)(=O)Cc3csc(C#N)c3)C2)cc1 ZINC000918871689 664505925 /nfs/dbraw/zinc/50/59/25/664505925.db2.gz HWMBJBHQUKJQMX-QGZVFWFLSA-N 1 1 375.519 2.622 20 30 GFEDMO CSc1ccc(CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cc1C#N ZINC000924039960 664645125 /nfs/dbraw/zinc/64/51/25/664645125.db2.gz FRTWALDLXRRNHL-HZPDHXFCSA-N 1 1 376.551 2.659 20 30 GFEDMO CCN(CC)C(=O)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946114 664844307 /nfs/dbraw/zinc/84/43/07/664844307.db2.gz MZXLXSSOGNUDJV-RKDXNWHRSA-N 1 1 382.295 2.958 20 30 GFEDMO N#Cc1c(Cl)ncnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694704 719889266 /nfs/dbraw/zinc/88/92/66/719889266.db2.gz CPTZOVYFRINZTE-UHFFFAOYSA-N 1 1 389.912 2.935 20 30 GFEDMO N#Cc1c(Cl)ncnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694704 719889268 /nfs/dbraw/zinc/88/92/68/719889268.db2.gz CPTZOVYFRINZTE-UHFFFAOYSA-N 1 1 389.912 2.935 20 30 GFEDMO N#CC1(c2ccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2)CCOCC1 ZINC001164726956 720427730 /nfs/dbraw/zinc/42/77/30/720427730.db2.gz CMGQUXKDOLZVPX-RTWAWAEBSA-N 1 1 389.503 2.902 20 30 GFEDMO CCCc1cc(C#N)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1Cl ZINC001164740442 720717495 /nfs/dbraw/zinc/71/74/95/720717495.db2.gz QLNZOVJKWOCAKX-DLBZAZTESA-N 1 1 398.898 2.691 20 30 GFEDMO N#Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164751163 720813330 /nfs/dbraw/zinc/81/33/30/720813330.db2.gz XEPMGONRCOHDHR-ZHALLVOQSA-N 1 1 397.914 2.578 20 30 GFEDMO Cc1nc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164903434 721536101 /nfs/dbraw/zinc/53/61/01/721536101.db2.gz CNPCIUXOLSRXJI-GOEBONIOSA-N 1 1 387.846 2.791 20 30 GFEDMO Cc1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(C#N)c1 ZINC001164961209 722052970 /nfs/dbraw/zinc/05/29/70/722052970.db2.gz VWNMTLMCCYKOHB-UHFFFAOYSA-N 1 1 377.492 2.776 20 30 GFEDMO N#Cc1cnc(Cl)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164960488 722054035 /nfs/dbraw/zinc/05/40/35/722054035.db2.gz PKZNYNKLTCKZPK-UHFFFAOYSA-N 1 1 398.898 2.516 20 30 GFEDMO N#Cc1cc(Cl)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982776 722134408 /nfs/dbraw/zinc/13/44/08/722134408.db2.gz SIJUNJBGLUIKBU-LPHOPBHVSA-N 1 1 383.883 2.729 20 30 GFEDMO N#CCc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164981109 722150146 /nfs/dbraw/zinc/15/01/46/722150146.db2.gz OLBVGLJKRLNNKS-UYAOXDASSA-N 1 1 397.910 2.923 20 30 GFEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ccc(Br)cc2C#N)CC1 ZINC000121847629 551243875 /nfs/dbraw/zinc/24/38/75/551243875.db2.gz XKRZQXLRAAJSBI-UHFFFAOYSA-N 1 1 393.329 2.701 20 30 GFEDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2ccc(Br)cc2C#N)CC1 ZINC000121847629 551243877 /nfs/dbraw/zinc/24/38/77/551243877.db2.gz XKRZQXLRAAJSBI-UHFFFAOYSA-N 1 1 393.329 2.701 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(F)cc1 ZINC000156640874 551526776 /nfs/dbraw/zinc/52/67/76/551526776.db2.gz DXECHJCMRMTAGU-MRXNPFEDSA-N 1 1 381.860 2.932 20 30 GFEDMO C[N@H+](CCOc1ccc(C#N)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181066771 552245073 /nfs/dbraw/zinc/24/50/73/552245073.db2.gz GSRHHNMFIHKUEM-QGZVFWFLSA-N 1 1 388.265 2.858 20 30 GFEDMO C[N@@H+](CCOc1ccc(C#N)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181066771 552245074 /nfs/dbraw/zinc/24/50/74/552245074.db2.gz GSRHHNMFIHKUEM-QGZVFWFLSA-N 1 1 388.265 2.858 20 30 GFEDMO C=C(C)C[N@H+](C)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000181279611 552251940 /nfs/dbraw/zinc/25/19/40/552251940.db2.gz OEUUUUJTEZCNDY-UHFFFAOYSA-N 1 1 386.359 2.663 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)c1cccc(F)c1 ZINC000183405095 552308522 /nfs/dbraw/zinc/30/85/22/552308522.db2.gz BJOSMAGPZCPMFG-MRXNPFEDSA-N 1 1 381.860 2.932 20 30 GFEDMO C[N@H+]1CCCC[C@H]1CN1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191788223 552537841 /nfs/dbraw/zinc/53/78/41/552537841.db2.gz PVJRBUCAXFIVQX-SFHVURJKSA-N 1 1 391.357 2.923 20 30 GFEDMO COC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000193673461 552999923 /nfs/dbraw/zinc/99/99/23/552999923.db2.gz UILNKVUIACFUHE-SFHVURJKSA-N 1 1 378.881 2.963 20 30 GFEDMO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000369540774 563216665 /nfs/dbraw/zinc/21/66/65/563216665.db2.gz QERFWUPAAMZRTK-YJBOKZPZSA-N 1 1 375.519 2.900 20 30 GFEDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000281693606 563383884 /nfs/dbraw/zinc/38/38/84/563383884.db2.gz ARZGHURARVDJCZ-LBPRGKRZSA-N 1 1 375.416 2.539 20 30 GFEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CC34CCS(=O)(=O)CC4)sc2C1 ZINC000328894595 563467301 /nfs/dbraw/zinc/46/73/01/563467301.db2.gz UYIBZAXHDPVFMO-GFCCVEGCSA-N 1 1 383.539 2.713 20 30 GFEDMO CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]3CC34CCS(=O)(=O)CC4)sc2C1 ZINC000328894595 563467302 /nfs/dbraw/zinc/46/73/02/563467302.db2.gz UYIBZAXHDPVFMO-GFCCVEGCSA-N 1 1 383.539 2.713 20 30 GFEDMO CC[C@@H]1CN(C(=O)Nc2nc(C(F)(F)F)cs2)C[C@H]1[NH+]1CCOCC1 ZINC000330182078 563497901 /nfs/dbraw/zinc/49/79/01/563497901.db2.gz HAYGUHQBHVGACK-GHMZBOCLSA-N 1 1 378.420 2.750 20 30 GFEDMO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccccc1C#N ZINC000428799588 563502148 /nfs/dbraw/zinc/50/21/48/563502148.db2.gz JUUCCSBVNUQXIU-SJCJKPOMSA-N 1 1 388.265 2.971 20 30 GFEDMO Cc1c(Br)ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1F ZINC000330586907 563511920 /nfs/dbraw/zinc/51/19/20/563511920.db2.gz WZLGHGXVKNCEAL-WDEREUQCSA-N 1 1 388.281 2.829 20 30 GFEDMO Cc1c(Br)ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1F ZINC000330586907 563511921 /nfs/dbraw/zinc/51/19/21/563511921.db2.gz WZLGHGXVKNCEAL-WDEREUQCSA-N 1 1 388.281 2.829 20 30 GFEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(S(N)(=O)=O)cc1Cl ZINC000330688083 563517673 /nfs/dbraw/zinc/51/76/73/563517673.db2.gz NYMATFDGRFSTGD-FRRDWIJNSA-N 1 1 387.933 2.658 20 30 GFEDMO COC(=O)c1cc(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)ccc1Br ZINC000330861966 563524609 /nfs/dbraw/zinc/52/46/09/563524609.db2.gz SMNLYCDXICSBFL-GHMZBOCLSA-N 1 1 384.274 2.806 20 30 GFEDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000330894062 563526129 /nfs/dbraw/zinc/52/61/29/563526129.db2.gz ZKHDGZBZGSZPQG-LBPRGKRZSA-N 1 1 375.416 2.587 20 30 GFEDMO N#Cc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000287186348 563590969 /nfs/dbraw/zinc/59/09/69/563590969.db2.gz KQMUQMOWMQHZDQ-CYBMUJFWSA-N 1 1 393.285 2.507 20 30 GFEDMO C=CC[N@@H+](C)CCN(CC)CCS(=O)(=O)c1cccc(Br)c1 ZINC000411646095 563627745 /nfs/dbraw/zinc/62/77/45/563627745.db2.gz UPZQCWOCEJMUSX-UHFFFAOYSA-N 1 1 389.359 2.663 20 30 GFEDMO C=CC[N@H+](C)CCN(CC)CCS(=O)(=O)c1cccc(Br)c1 ZINC000411646095 563627748 /nfs/dbraw/zinc/62/77/48/563627748.db2.gz UPZQCWOCEJMUSX-UHFFFAOYSA-N 1 1 389.359 2.663 20 30 GFEDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2C#N)[C@@H]1c1cccs1 ZINC000363166851 563715847 /nfs/dbraw/zinc/71/58/47/563715847.db2.gz YTXZSIIWHVXICU-SJKOYZFVSA-N 1 1 379.482 2.730 20 30 GFEDMO N#CCSCC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414056450 563717438 /nfs/dbraw/zinc/71/74/38/563717438.db2.gz PZTKFHHWVXAPBN-UHFFFAOYSA-N 1 1 382.327 2.786 20 30 GFEDMO C[N@H+](CCNS(=O)(=O)c1cccc(Cl)c1C#N)Cc1ccc(F)cc1 ZINC000443344458 563802225 /nfs/dbraw/zinc/80/22/25/563802225.db2.gz REWITIZBRQTQIT-UHFFFAOYSA-N 1 1 381.860 2.761 20 30 GFEDMO C[N@@H+](CCNS(=O)(=O)c1cccc(Cl)c1C#N)Cc1ccc(F)cc1 ZINC000443344458 563802227 /nfs/dbraw/zinc/80/22/27/563802227.db2.gz REWITIZBRQTQIT-UHFFFAOYSA-N 1 1 381.860 2.761 20 30 GFEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000450108096 564217200 /nfs/dbraw/zinc/21/72/00/564217200.db2.gz ZWOVOXJENGXREX-CQSZACIVSA-N 1 1 394.313 2.794 20 30 GFEDMO C[N@H+]1CCC[C@H]2CN(C(=O)COc3ccc(C#N)c(Br)c3)CC[C@H]21 ZINC000450147831 564218887 /nfs/dbraw/zinc/21/88/87/564218887.db2.gz OICJITWDJZJFHP-WMLDXEAASA-N 1 1 392.297 2.642 20 30 GFEDMO N#Cc1cc(Br)cnc1NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000450411748 564231578 /nfs/dbraw/zinc/23/15/78/564231578.db2.gz OTKZZILZFWBFBO-IAGOWNOFSA-N 1 1 387.281 2.763 20 30 GFEDMO C[NH+]1CCC(C#N)(NC(=O)c2cc3sc(N4CCCC4)nc3s2)CC1 ZINC000565456631 564281657 /nfs/dbraw/zinc/28/16/57/564281657.db2.gz ZTHVXYQQBJZVNU-UHFFFAOYSA-N 1 1 375.523 2.676 20 30 GFEDMO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000509422895 564298611 /nfs/dbraw/zinc/29/86/11/564298611.db2.gz DRGLYHDCFWLSKA-WMLDXEAASA-N 1 1 384.933 2.545 20 30 GFEDMO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000516162040 564494770 /nfs/dbraw/zinc/49/47/70/564494770.db2.gz ZQOCIXQUZWGNMN-WMLDXEAASA-N 1 1 384.933 2.545 20 30 GFEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H](CC)Cc1ccccc1Br ZINC000481815992 564525161 /nfs/dbraw/zinc/52/51/61/564525161.db2.gz NFLLJECXSSWPLJ-CQSZACIVSA-N 1 1 382.302 2.714 20 30 GFEDMO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000483254683 564561588 /nfs/dbraw/zinc/56/15/88/564561588.db2.gz HFKPJPZAHZLDIR-CXAGYDPISA-N 1 1 381.259 2.928 20 30 GFEDMO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000483254690 564562059 /nfs/dbraw/zinc/56/20/59/564562059.db2.gz HFKPJPZAHZLDIR-DYVFJYSZSA-N 1 1 381.259 2.928 20 30 GFEDMO C=CC[C@@H](C)NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000455866640 564576626 /nfs/dbraw/zinc/57/66/26/564576626.db2.gz ATBFXMGMHBHAPU-GFCCVEGCSA-N 1 1 382.306 2.682 20 30 GFEDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)COc2cccc(Br)c2C#N)C1 ZINC000457101328 564646021 /nfs/dbraw/zinc/64/60/21/564646021.db2.gz XZGFWQSLTXQAHV-ZDUSSCGKSA-N 1 1 380.286 2.641 20 30 GFEDMO CCOCC[NH+]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487835387 564697390 /nfs/dbraw/zinc/69/73/90/564697390.db2.gz JSRSXLFUNAJBNZ-UHFFFAOYSA-N 1 1 381.274 2.507 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(F)cc1 ZINC000553885226 564743418 /nfs/dbraw/zinc/74/34/18/564743418.db2.gz AVSQWJOELSWYLE-MRXNPFEDSA-N 1 1 381.860 2.932 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000459683668 564756578 /nfs/dbraw/zinc/75/65/78/564756578.db2.gz CTDOYAPDJKDESB-AWEZNQCLSA-N 1 1 398.301 2.856 20 30 GFEDMO C=CCOc1c(Br)cc(C[NH2+][C@H](CO)c2ccnn2C)cc1OC ZINC000459721233 564758379 /nfs/dbraw/zinc/75/83/79/564758379.db2.gz SYBIBKVGWPMURD-CQSZACIVSA-N 1 1 396.285 2.579 20 30 GFEDMO N#C[C@@H]1CC[C@@H]([NH+]2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000555379871 564791825 /nfs/dbraw/zinc/79/18/25/564791825.db2.gz NGSPXHCXAZFLBP-RHSMWYFYSA-N 1 1 391.313 2.697 20 30 GFEDMO Cc1nsc(N2CC[NH+](C[C@H](O)Cc3cccc(Cl)c3)CC2)c1C#N ZINC000558471113 564902315 /nfs/dbraw/zinc/90/23/15/564902315.db2.gz MQCPKIOWCKPADL-MRXNPFEDSA-N 1 1 376.913 2.702 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470029678 565035540 /nfs/dbraw/zinc/03/55/40/565035540.db2.gz GCIPMRGHKZJZLV-YPMHNXCESA-N 1 1 386.279 2.847 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470029678 565035542 /nfs/dbraw/zinc/03/55/42/565035542.db2.gz GCIPMRGHKZJZLV-YPMHNXCESA-N 1 1 386.279 2.847 20 30 GFEDMO CCCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592829628 565299170 /nfs/dbraw/zinc/29/91/70/565299170.db2.gz SQJLFHGFILTQOX-CQSZACIVSA-N 1 1 380.286 2.642 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)COc1cccc(Br)c1C#N ZINC000597860061 565578714 /nfs/dbraw/zinc/57/87/14/565578714.db2.gz KXFPEUIBNZQKMX-GFCCVEGCSA-N 1 1 380.286 2.689 20 30 GFEDMO N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600471009 565730869 /nfs/dbraw/zinc/73/08/69/565730869.db2.gz QRHDKFNURMNQJU-KRWDZBQOSA-N 1 1 376.298 2.996 20 30 GFEDMO N#Cc1cccc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)n1 ZINC000602567809 565855325 /nfs/dbraw/zinc/85/53/25/565855325.db2.gz GTIJGYWCFZQWHY-UHFFFAOYSA-N 1 1 387.281 2.842 20 30 GFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603284645 565894567 /nfs/dbraw/zinc/89/45/67/565894567.db2.gz NLHJLUIENQHSCL-GASCZTMLSA-N 1 1 392.345 2.711 20 30 GFEDMO COc1ccc(C#N)cc1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826186920 607526617 /nfs/dbraw/zinc/52/66/17/607526617.db2.gz PZXFRCCBRNRITB-UHFFFAOYSA-N 1 1 390.447 2.790 20 30 GFEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823903938 608461112 /nfs/dbraw/zinc/46/11/12/608461112.db2.gz NUOQTDDNWROUTR-MRXNPFEDSA-N 1 1 378.480 2.545 20 30 GFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000824035187 608853212 /nfs/dbraw/zinc/85/32/12/608853212.db2.gz SZQIAGWBCWJGDE-FOIQADDNSA-N 1 1 390.447 2.731 20 30 GFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000824035187 608853216 /nfs/dbraw/zinc/85/32/16/608853216.db2.gz SZQIAGWBCWJGDE-FOIQADDNSA-N 1 1 390.447 2.731 20 30 GFEDMO CC(=NNCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823953691 609516033 /nfs/dbraw/zinc/51/60/33/609516033.db2.gz MDEFANWAFPGCAX-FQEVSTJZSA-N 1 1 375.480 2.854 20 30 GFEDMO COC(=O)C1(C#N)CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000831687403 660719814 /nfs/dbraw/zinc/71/98/14/660719814.db2.gz PHUMZLPOBNBFJT-CYBMUJFWSA-N 1 1 387.263 2.512 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)Nc1cc(OC)c(OC)cc1Br ZINC000838623989 661051189 /nfs/dbraw/zinc/05/11/89/661051189.db2.gz ANLRICWJWWIESD-UHFFFAOYSA-N 1 1 384.274 2.543 20 30 GFEDMO Brc1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cc2c1OCCCO2 ZINC000753933189 655861071 /nfs/dbraw/zinc/86/10/71/655861071.db2.gz DBEDMNKNFBEXOG-KBPBESRZSA-N 1 1 393.285 2.804 20 30 GFEDMO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000796516794 658921621 /nfs/dbraw/zinc/92/16/21/658921621.db2.gz OLDMUIAOYQOCRJ-MRXNPFEDSA-N 1 1 376.806 2.705 20 30 GFEDMO N#Cc1ccc(NC(=S)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000800822054 659333044 /nfs/dbraw/zinc/33/30/44/659333044.db2.gz ZMZCGQHJJCYTKH-CQSZACIVSA-N 1 1 378.929 2.953 20 30 GFEDMO C#CC[N@H+](CC[C@@H]1CCNC1=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000846804087 661566520 /nfs/dbraw/zinc/56/65/20/661566520.db2.gz IGPLIBAPFIEMQA-BBRMVZONSA-N 1 1 377.282 2.734 20 30 GFEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1N=Nc1ncc(Br)cn1 ZINC000848420425 661646709 /nfs/dbraw/zinc/64/67/09/661646709.db2.gz ATOCCMBZHOKDBE-GFCCVEGCSA-N 1 1 375.274 2.944 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OCC#Cc2ccc(Br)cn2)C1 ZINC000851275186 661812369 /nfs/dbraw/zinc/81/23/69/661812369.db2.gz IJZDWPRTDURRBF-QGZVFWFLSA-N 1 1 383.261 2.951 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000854662889 661946477 /nfs/dbraw/zinc/94/64/77/661946477.db2.gz PNBAUQKYAATSTP-UHFFFAOYSA-N 1 1 376.254 2.789 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856781652 662043954 /nfs/dbraw/zinc/04/39/54/662043954.db2.gz UZRMOCLFQYUTGT-DTWKUNHWSA-N 1 1 378.782 2.805 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856781655 662043975 /nfs/dbraw/zinc/04/39/75/662043975.db2.gz UZRMOCLFQYUTGT-RKDXNWHRSA-N 1 1 378.782 2.805 20 30 GFEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000872793820 662788975 /nfs/dbraw/zinc/78/89/75/662788975.db2.gz CZZASRHSCAJRGQ-CABCVRRESA-N 1 1 377.535 2.638 20 30 GFEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000872793820 662788976 /nfs/dbraw/zinc/78/89/76/662788976.db2.gz CZZASRHSCAJRGQ-CABCVRRESA-N 1 1 377.535 2.638 20 30 GFEDMO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000876766258 662866038 /nfs/dbraw/zinc/86/60/38/662866038.db2.gz GFXRPLPTZKLRDN-LSDHHAIUSA-N 1 1 375.822 2.866 20 30 GFEDMO C#CCC1(O)CC[NH+](Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000880478085 662960672 /nfs/dbraw/zinc/96/06/72/662960672.db2.gz SPHHGXSTGMJKCD-UHFFFAOYSA-N 1 1 376.254 2.849 20 30 GFEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Br)c(C#N)n3)CC[C@H]21 ZINC000883097424 663048945 /nfs/dbraw/zinc/04/89/45/663048945.db2.gz KCDZXGHTTIMMPQ-BXUZGUMPSA-N 1 1 378.274 2.664 20 30 GFEDMO N#Cc1nc(NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1Br ZINC000883118396 663049973 /nfs/dbraw/zinc/04/99/73/663049973.db2.gz VOYBFSJSQHTLJE-CYBMUJFWSA-N 1 1 392.301 2.959 20 30 GFEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CCC1 ZINC000886274268 663106665 /nfs/dbraw/zinc/10/66/65/663106665.db2.gz PTTHDNWODKYMON-CABCVRRESA-N 1 1 380.286 2.742 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2c[nH]c3c2cccc3Br)CC1 ZINC000906925548 663982586 /nfs/dbraw/zinc/98/25/86/663982586.db2.gz MOSPDOSERDSLJR-UHFFFAOYSA-N 1 1 398.326 2.859 20 30 GFEDMO Cc1ccc([C@H](CNS(=O)(=O)Cc2csc(C#N)c2)[NH+]2CCCC2)o1 ZINC000914038554 664372892 /nfs/dbraw/zinc/37/28/92/664372892.db2.gz GXAOIDPSABTVHM-INIZCTEOSA-N 1 1 379.507 2.778 20 30 GFEDMO N#Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694691 719890387 /nfs/dbraw/zinc/89/03/87/719890387.db2.gz CICRULAPICEZRX-UHFFFAOYSA-N 1 1 399.476 2.794 20 30 GFEDMO N#Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694691 719890390 /nfs/dbraw/zinc/89/03/90/719890390.db2.gz CICRULAPICEZRX-UHFFFAOYSA-N 1 1 399.476 2.794 20 30 GFEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nnc(Cl)cc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836558 720522402 /nfs/dbraw/zinc/52/24/02/720522402.db2.gz NESOPJIHLVLARZ-YESZJQIVSA-N 1 1 385.903 2.576 20 30 GFEDMO CCCc1cc(C#N)c(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)nc1Cl ZINC001164853085 720860976 /nfs/dbraw/zinc/86/09/76/720860976.db2.gz GJHKWICSDDBVEE-WMZOPIPTSA-N 1 1 392.931 2.733 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc5c(cc4C#N)CCCC5)C[C@@H]3C2)cn1 ZINC001164763303 721197595 /nfs/dbraw/zinc/19/75/95/721197595.db2.gz FGRICAZYZUJFET-QUCCMNQESA-N 1 1 376.508 2.524 20 30 GFEDMO C=CCOc1cc(C)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164910283 721536072 /nfs/dbraw/zinc/53/60/72/721536072.db2.gz UBBSISOZSBDZKQ-MJGOQNOKSA-N 1 1 384.455 2.831 20 30 GFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)cc2C#N)[C@H]2CCCO[C@@H]12 ZINC001164798580 721569442 /nfs/dbraw/zinc/56/94/42/721569442.db2.gz BNHZLNOWFCFGIZ-IPMKNSEASA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)cc2C#N)[C@H]2CCCO[C@@H]12 ZINC001164798580 721569446 /nfs/dbraw/zinc/56/94/46/721569446.db2.gz BNHZLNOWFCFGIZ-IPMKNSEASA-N 1 1 383.883 2.870 20 30 GFEDMO N#Cc1nc(Cl)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1C#N ZINC001164952570 722017702 /nfs/dbraw/zinc/01/77/02/722017702.db2.gz NTDDNWPKUJHPGA-UHFFFAOYSA-N 1 1 393.882 2.761 20 30 GFEDMO N#Cc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164978185 722102753 /nfs/dbraw/zinc/10/27/53/722102753.db2.gz GBJHUMQWLFTDAB-MJGOQNOKSA-N 1 1 383.883 2.729 20 30 GFEDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1C ZINC000121932145 551292753 /nfs/dbraw/zinc/29/27/53/551292753.db2.gz AYQLZSSETURRBE-SMDDNHRTSA-N 1 1 375.416 2.680 20 30 GFEDMO N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000155200584 551493963 /nfs/dbraw/zinc/49/39/63/551493963.db2.gz GXLKMFFBSCHWET-AWEZNQCLSA-N 1 1 398.326 2.616 20 30 GFEDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155239475 551495269 /nfs/dbraw/zinc/49/52/69/551495269.db2.gz BOCKWQKRDQAPOF-UHFFFAOYSA-N 1 1 397.298 2.584 20 30 GFEDMO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1cc2c(cc1Br)OCCO2 ZINC000180476638 552227304 /nfs/dbraw/zinc/22/73/04/552227304.db2.gz NHEULRJVOWQPOL-NEPJUHHUSA-N 1 1 396.285 2.631 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(F)cc1 ZINC000183521640 552311896 /nfs/dbraw/zinc/31/18/96/552311896.db2.gz HEHQYCOMLFPGMF-MRXNPFEDSA-N 1 1 381.860 2.932 20 30 GFEDMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC[C@H](C)[N@@H+](C)C2CC2)s1 ZINC000328830381 563466397 /nfs/dbraw/zinc/46/63/97/563466397.db2.gz JWCHVVMHKQFZPB-SWLSCSKDSA-N 1 1 385.555 2.649 20 30 GFEDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000329031853 563470517 /nfs/dbraw/zinc/47/05/17/563470517.db2.gz XKAWCQFYNDIZPH-IUODEOHRSA-N 1 1 395.301 2.771 20 30 GFEDMO Cc1cc(C)c(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1Br ZINC000330567949 563511056 /nfs/dbraw/zinc/51/10/56/563511056.db2.gz MZOXWDPOBXMPEE-KGLIPLIRSA-N 1 1 384.318 2.998 20 30 GFEDMO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CC[N@@H+]1C ZINC000330897465 563525942 /nfs/dbraw/zinc/52/59/42/563525942.db2.gz UHFUMQNJQIEBEY-MNOVXSKESA-N 1 1 375.441 2.598 20 30 GFEDMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc(Br)cn1 ZINC000331061969 563533262 /nfs/dbraw/zinc/53/32/62/563533262.db2.gz ONRYVRNEONRVPI-STQMWFEESA-N 1 1 399.333 2.596 20 30 GFEDMO COC(=O)c1cccc(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1Br ZINC000331160565 563537703 /nfs/dbraw/zinc/53/77/03/563537703.db2.gz RCPAJTCINQDPOQ-MNOVXSKESA-N 1 1 384.274 2.806 20 30 GFEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCn2cc(Br)cn2)c(C#N)c1C ZINC000288797266 563657743 /nfs/dbraw/zinc/65/77/43/563657743.db2.gz LPPJSPGOFMSIHA-LLVKDONJSA-N 1 1 394.273 2.686 20 30 GFEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCn2cc(Br)cn2)c(C#N)c1C ZINC000288797266 563657745 /nfs/dbraw/zinc/65/77/45/563657745.db2.gz LPPJSPGOFMSIHA-LLVKDONJSA-N 1 1 394.273 2.686 20 30 GFEDMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(Br)cc2C#N)C[C@H](C)O1 ZINC000448629978 563899094 /nfs/dbraw/zinc/89/90/94/563899094.db2.gz YQJWAOKDNBBOBH-BETUJISGSA-N 1 1 380.286 2.550 20 30 GFEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc(Br)cc2C#N)C[C@H](C)O1 ZINC000448620488 563899309 /nfs/dbraw/zinc/89/93/09/563899309.db2.gz FEFKQMKEIQDQKU-BETUJISGSA-N 1 1 394.313 2.938 20 30 GFEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc(Br)cc2C#N)C[C@H](C)O1 ZINC000448620488 563899311 /nfs/dbraw/zinc/89/93/11/563899311.db2.gz FEFKQMKEIQDQKU-BETUJISGSA-N 1 1 394.313 2.938 20 30 GFEDMO C[C@H]1CCC[N@@H+](CCNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000449636044 564193688 /nfs/dbraw/zinc/19/36/88/564193688.db2.gz ZCXAOGGUYAUXQF-ZDUSSCGKSA-N 1 1 380.286 2.548 20 30 GFEDMO N#Cc1cc(Br)cnc1NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000450411749 564231564 /nfs/dbraw/zinc/23/15/64/564231564.db2.gz OTKZZILZFWBFBO-IRXDYDNUSA-N 1 1 387.281 2.763 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000451173053 564282485 /nfs/dbraw/zinc/28/24/85/564282485.db2.gz UXNGRUFKSPDFCR-UHFFFAOYSA-N 1 1 378.416 2.643 20 30 GFEDMO N#CCC1CC[NH+](CC(=O)Nc2cccc(I)c2)CC1 ZINC000541952712 564296673 /nfs/dbraw/zinc/29/66/73/564296673.db2.gz YJEUVFLVSFNKPC-UHFFFAOYSA-N 1 1 383.233 2.855 20 30 GFEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000566115553 564310333 /nfs/dbraw/zinc/31/03/33/564310333.db2.gz QXNHXMGOQSFEAX-CQSZACIVSA-N 1 1 377.286 2.819 20 30 GFEDMO N#CC1(CS(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCCC1 ZINC000545365706 564419437 /nfs/dbraw/zinc/41/94/37/564419437.db2.gz BPHLAONPEUINHS-MRXNPFEDSA-N 1 1 381.567 2.963 20 30 GFEDMO N#Cc1cccc(N2CC[NH+](CCOc3ccc(Br)cc3)CC2)n1 ZINC000546213540 564449321 /nfs/dbraw/zinc/44/93/21/564449321.db2.gz SXWIDRCRKPQSGV-UHFFFAOYSA-N 1 1 387.281 2.917 20 30 GFEDMO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@H+](CC)CC1 ZINC000571247556 564542711 /nfs/dbraw/zinc/54/27/11/564542711.db2.gz SRTLQYVNPGANDB-UHFFFAOYSA-N 1 1 379.306 2.754 20 30 GFEDMO C=CCCN(C)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000455896467 564579411 /nfs/dbraw/zinc/57/94/11/564579411.db2.gz KZQWODCABBFESZ-UHFFFAOYSA-N 1 1 382.306 2.636 20 30 GFEDMO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(Br)cn3)C2=O)cc1 ZINC000486881019 564669098 /nfs/dbraw/zinc/66/90/98/564669098.db2.gz FLPXKENVJJHRQP-KRWDZBQOSA-N 1 1 385.265 2.606 20 30 GFEDMO C[N@H+]1CCC[C@@H](CCNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000458208440 564694502 /nfs/dbraw/zinc/69/45/02/564694502.db2.gz NQVZLZBPKGWZRE-ZDUSSCGKSA-N 1 1 380.286 2.548 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1F ZINC000489015695 564727244 /nfs/dbraw/zinc/72/72/44/564727244.db2.gz MDHMIGMQANVCEU-INIZCTEOSA-N 1 1 379.482 2.874 20 30 GFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCOc1cc(F)cc(Br)c1 ZINC000527074303 564728968 /nfs/dbraw/zinc/72/89/68/564728968.db2.gz XDOBTWGZTXOKSD-UHFFFAOYSA-N 1 1 396.264 2.539 20 30 GFEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccsc1 ZINC000489117014 564730347 /nfs/dbraw/zinc/73/03/47/564730347.db2.gz ONGLABWKBLECBR-KRWDZBQOSA-N 1 1 378.523 2.685 20 30 GFEDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000459557127 564750349 /nfs/dbraw/zinc/75/03/49/564750349.db2.gz CNESJDRXUUVZLA-UHFFFAOYSA-N 1 1 396.333 2.668 20 30 GFEDMO CN(CCCN(C)C(=O)Nc1ccc(C#N)c(Br)c1)CC[NH+](C)C ZINC000459557127 564750351 /nfs/dbraw/zinc/75/03/51/564750351.db2.gz CNESJDRXUUVZLA-UHFFFAOYSA-N 1 1 396.333 2.668 20 30 GFEDMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000581398906 564800654 /nfs/dbraw/zinc/80/06/54/564800654.db2.gz LIUVRUHOVVKRON-LBPRGKRZSA-N 1 1 377.432 2.976 20 30 GFEDMO CNC(=O)C[NH+]1CCC(Nc2c(Br)cc(Cl)cc2C#N)CC1 ZINC000561141596 564985680 /nfs/dbraw/zinc/98/56/80/564985680.db2.gz DLOYTTWOGDIHPH-UHFFFAOYSA-N 1 1 385.693 2.596 20 30 GFEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000468982157 565001830 /nfs/dbraw/zinc/00/18/30/565001830.db2.gz OJGJWOIJMYKOAH-CYBMUJFWSA-N 1 1 380.286 2.711 20 30 GFEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000468982157 565001832 /nfs/dbraw/zinc/00/18/32/565001832.db2.gz OJGJWOIJMYKOAH-CYBMUJFWSA-N 1 1 380.286 2.711 20 30 GFEDMO N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594195190 565378312 /nfs/dbraw/zinc/37/83/12/565378312.db2.gz CXZUZXGJIIJHLT-HZPDHXFCSA-N 1 1 392.297 2.833 20 30 GFEDMO Fc1ccc(C#CC[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826373300 607527318 /nfs/dbraw/zinc/52/73/18/607527318.db2.gz HKBAJDQBGYPQLB-UHFFFAOYSA-N 1 1 377.423 2.901 20 30 GFEDMO N#Cc1ccc(C2=CC[N@@H+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826384746 608462693 /nfs/dbraw/zinc/46/26/93/608462693.db2.gz HVADXUKCOFYNFB-UHFFFAOYSA-N 1 1 399.458 2.856 20 30 GFEDMO C=CC[N@H+](Cc1cn(C)nc1-c1ccncc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823915339 608632504 /nfs/dbraw/zinc/63/25/04/608632504.db2.gz VLBZQSNBJGJQMB-UHFFFAOYSA-N 1 1 386.463 2.850 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cn(-c2ccc(Br)cc2)nc1C ZINC000818612362 660229951 /nfs/dbraw/zinc/22/99/51/660229951.db2.gz XNMCCGFANTYBRE-UHFFFAOYSA-N 1 1 389.297 2.628 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000818603301 660229957 /nfs/dbraw/zinc/22/99/57/660229957.db2.gz XNQDPKVIXCNNQI-UHFFFAOYSA-N 1 1 389.297 2.628 20 30 GFEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000832671944 660793697 /nfs/dbraw/zinc/79/36/97/660793697.db2.gz GUHIQJGFQPAXNN-RPVQJOFSSA-N 1 1 396.329 2.857 20 30 GFEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000832671944 660793700 /nfs/dbraw/zinc/79/37/00/660793700.db2.gz GUHIQJGFQPAXNN-RPVQJOFSSA-N 1 1 396.329 2.857 20 30 GFEDMO N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000055217067 654771657 /nfs/dbraw/zinc/77/16/57/654771657.db2.gz VIFGBZDBZABXTN-MRXNPFEDSA-N 1 1 375.881 2.764 20 30 GFEDMO N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000055217067 654771659 /nfs/dbraw/zinc/77/16/59/654771659.db2.gz VIFGBZDBZABXTN-MRXNPFEDSA-N 1 1 375.881 2.764 20 30 GFEDMO C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000067244380 654934597 /nfs/dbraw/zinc/93/45/97/654934597.db2.gz BESLQISKUPKUBB-OAHLLOKOSA-N 1 1 375.881 2.893 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000838622739 661051080 /nfs/dbraw/zinc/05/10/80/661051080.db2.gz ZKKLFXBQXVUVSS-DLBZAZTESA-N 1 1 384.307 2.548 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](C)CCN2CCOCC2)cc1OC ZINC000092974822 655016370 /nfs/dbraw/zinc/01/63/70/655016370.db2.gz VTLZGCWEXYPETN-UHFFFAOYSA-N 1 1 399.329 2.787 20 30 GFEDMO Cn1cc[nH+]c1CC1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000119737299 655313065 /nfs/dbraw/zinc/31/30/65/655313065.db2.gz PHMDBVKXTGYMFJ-UHFFFAOYSA-N 1 1 378.885 2.589 20 30 GFEDMO Brc1ccc(-n2cc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)cn2)cc1 ZINC000753932988 655861048 /nfs/dbraw/zinc/86/10/48/655861048.db2.gz AGLSOPAPKVOJQR-HOTGVXAUSA-N 1 1 387.285 2.829 20 30 GFEDMO C#CCOc1cccc(Cl)c1C[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000778173738 656868967 /nfs/dbraw/zinc/86/89/67/656868967.db2.gz SEMJBSDZZSQMSP-UHFFFAOYSA-N 1 1 398.937 2.824 20 30 GFEDMO S=C(NCCC[NH+]1CCOCC1)NN=C1CC(c2ccc(Cl)cc2)C1 ZINC000783800753 657261855 /nfs/dbraw/zinc/26/18/55/657261855.db2.gz UBKFPUXECHUXIZ-UHFFFAOYSA-N 1 1 380.945 2.760 20 30 GFEDMO C[C@H](C#N)OCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000801940898 659435806 /nfs/dbraw/zinc/43/58/06/659435806.db2.gz SXSOROLZKIIXHC-PBHICJAKSA-N 1 1 377.286 2.560 20 30 GFEDMO Clc1nc(Cl)n(-c2ccccc2)c1C=NNCCC[NH+]1CCOCC1 ZINC000814923368 660098608 /nfs/dbraw/zinc/09/86/08/660098608.db2.gz GDLPDQYKMCKZRO-UHFFFAOYSA-N 1 1 382.295 2.825 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000854662685 661946412 /nfs/dbraw/zinc/94/64/12/661946412.db2.gz JAPXQMOUBANOQU-UHFFFAOYSA-N 1 1 376.254 2.789 20 30 GFEDMO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](CCCF)CC1 ZINC000869113309 662629354 /nfs/dbraw/zinc/62/93/54/662629354.db2.gz OZLYRFGGLMXQCL-AWEZNQCLSA-N 1 1 377.888 2.526 20 30 GFEDMO N#Cc1ccc(Br)c(C[NH2+][C@H]2CCCc3c2cnn3CCO)c1 ZINC000921584365 664555478 /nfs/dbraw/zinc/55/54/78/664555478.db2.gz UWEAOUDMDYAVGB-INIZCTEOSA-N 1 1 375.270 2.677 20 30 GFEDMO C=CC[C@H]1CC[N@@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000934472836 664907237 /nfs/dbraw/zinc/90/72/37/664907237.db2.gz QHGNHTLRBMLSAM-ZDUSSCGKSA-N 1 1 385.917 2.569 20 30 GFEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000934465611 664907325 /nfs/dbraw/zinc/90/73/25/664907325.db2.gz FAXCBUWJQTYKSC-OCCSQVGLSA-N 1 1 385.917 2.568 20 30 GFEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000934465611 664907328 /nfs/dbraw/zinc/90/73/28/664907328.db2.gz FAXCBUWJQTYKSC-OCCSQVGLSA-N 1 1 385.917 2.568 20 30 GFEDMO C=C(Br)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001048548499 665077281 /nfs/dbraw/zinc/07/72/81/665077281.db2.gz FDAKPWLSEDCHKV-OJMGNDQRSA-N 1 1 395.341 2.678 20 30 GFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C#N)cc1F)CC2 ZINC001164713617 720131140 /nfs/dbraw/zinc/13/11/40/720131140.db2.gz SZOBDIHSYXTXOI-IBGZPJMESA-N 1 1 395.482 2.995 20 30 GFEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(Cl)nc3C#N)CC[C@@H]21 ZINC001164840626 720519493 /nfs/dbraw/zinc/51/94/93/720519493.db2.gz WYLJUYUIQYUCOQ-ZOBUZTSGSA-N 1 1 385.903 2.576 20 30 GFEDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4cccs4)ccc3C#N)CC[C@@H]2C1 ZINC001164864764 720877736 /nfs/dbraw/zinc/87/77/36/720877736.db2.gz XBPHXGFHBARIBN-MJGOQNOKSA-N 1 1 398.532 2.855 20 30 GFEDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4cccs4)ccc3C#N)CC[C@H]2C1 ZINC001164864757 720878071 /nfs/dbraw/zinc/87/80/71/720878071.db2.gz XBPHXGFHBARIBN-HKUYNNGSSA-N 1 1 398.532 2.855 20 30 GFEDMO COCC[N@H+]1CCO[C@H]2CN(c3nc4c(cc3C#N)CCCC4(C)C)CC[C@H]2C1 ZINC001164853003 720890285 /nfs/dbraw/zinc/89/02/85/720890285.db2.gz BJMMBJTZLAJXAE-ICSRJNTNSA-N 1 1 398.551 2.741 20 30 GFEDMO N#Cc1c2c(cnc1N1CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C1)CCCC2 ZINC001164866513 721191456 /nfs/dbraw/zinc/19/14/56/721191456.db2.gz BSGZDWHKOYTZPR-UXHICEINSA-N 1 1 389.503 2.707 20 30 GFEDMO COc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(F)cc1C#N ZINC001164909699 721550613 /nfs/dbraw/zinc/55/06/13/721550613.db2.gz UPLBPRSMANDYJC-RDJZCZTQSA-N 1 1 386.402 2.582 20 30 GFEDMO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000179382836 552191739 /nfs/dbraw/zinc/19/17/39/552191739.db2.gz VYKNFNOEFSHVIH-RDTXWAMCSA-N 1 1 394.313 2.973 20 30 GFEDMO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000179382836 552191742 /nfs/dbraw/zinc/19/17/42/552191742.db2.gz VYKNFNOEFSHVIH-RDTXWAMCSA-N 1 1 394.313 2.973 20 30 GFEDMO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ccc(C#N)cc2Br)CC1 ZINC000181097090 552246323 /nfs/dbraw/zinc/24/63/23/552246323.db2.gz CKLYNKYIOJYLAL-CQSZACIVSA-N 1 1 380.330 2.845 20 30 GFEDMO C[S@@](=O)C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000183114298 552301075 /nfs/dbraw/zinc/30/10/75/552301075.db2.gz NVPVFSRTHRQZCE-SSOJOUAXSA-N 1 1 375.881 2.860 20 30 GFEDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000246158893 553103315 /nfs/dbraw/zinc/10/33/15/553103315.db2.gz LQNAJRCXADPJAZ-QAPCUYQASA-N 1 1 375.519 2.981 20 30 GFEDMO Cc1cccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)c1C#N ZINC000261932048 553162826 /nfs/dbraw/zinc/16/28/26/553162826.db2.gz ZZAZUWOKPZVGDK-KRWDZBQOSA-N 1 1 375.881 2.855 20 30 GFEDMO N#Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000295188584 563233819 /nfs/dbraw/zinc/23/38/19/563233819.db2.gz CVQCMRRFGPVZKH-AWEZNQCLSA-N 1 1 392.297 2.505 20 30 GFEDMO C[C@@H]1CN(Cc2cc(C#N)ccc2Br)CC[N@@H+]1C1CCN(C)CC1 ZINC000375426190 563405100 /nfs/dbraw/zinc/40/51/00/563405100.db2.gz IFXOPNVPZJWHNI-OAHLLOKOSA-N 1 1 391.357 2.921 20 30 GFEDMO C[C@@H]1CN(Cc2cc(C#N)ccc2Br)CC[N@H+]1C1CCN(C)CC1 ZINC000375426190 563405103 /nfs/dbraw/zinc/40/51/03/563405103.db2.gz IFXOPNVPZJWHNI-OAHLLOKOSA-N 1 1 391.357 2.921 20 30 GFEDMO C[C@@H]1C[C@H](NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CC[N@H+]1C ZINC000330612372 563513252 /nfs/dbraw/zinc/51/32/52/563513252.db2.gz XNRDBRIVXRBSEM-ZYHUDNBSSA-N 1 1 389.315 2.640 20 30 GFEDMO CC[C@@H]1CN(C(=O)Nc2ccc(F)c(Br)c2)CC[N@H+]1C[C@@H](C)O ZINC000330639164 563514938 /nfs/dbraw/zinc/51/49/38/563514938.db2.gz DKVHFQYXKZHHOX-DGCLKSJQSA-N 1 1 388.281 2.911 20 30 GFEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000383095339 563516006 /nfs/dbraw/zinc/51/60/06/563516006.db2.gz YWPQQPJFKSGFQA-HNNXBMFYSA-N 1 1 375.519 2.905 20 30 GFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000383095339 563516012 /nfs/dbraw/zinc/51/60/12/563516012.db2.gz YWPQQPJFKSGFQA-HNNXBMFYSA-N 1 1 375.519 2.905 20 30 GFEDMO COC(=O)c1cc(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)ccc1Br ZINC000330861968 563524645 /nfs/dbraw/zinc/52/46/45/563524645.db2.gz SMNLYCDXICSBFL-MNOVXSKESA-N 1 1 384.274 2.806 20 30 GFEDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000330894061 563525905 /nfs/dbraw/zinc/52/59/05/563525905.db2.gz ZKHDGZBZGSZPQG-GFCCVEGCSA-N 1 1 375.416 2.587 20 30 GFEDMO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000331025808 563531623 /nfs/dbraw/zinc/53/16/23/563531623.db2.gz AZLCHDBLYCZAMH-CYBMUJFWSA-N 1 1 375.416 2.728 20 30 GFEDMO C=CC[N@H+](C)CCN(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000411639881 563627004 /nfs/dbraw/zinc/62/70/04/563627004.db2.gz JRXUCJBKYFBFPR-UHFFFAOYSA-N 1 1 399.289 2.736 20 30 GFEDMO CC[N@H+]1CCC[C@@H](CNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000449815999 564203215 /nfs/dbraw/zinc/20/32/15/564203215.db2.gz TVPFBCZZWJBEMZ-ZDUSSCGKSA-N 1 1 380.286 2.548 20 30 GFEDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000516638424 564507811 /nfs/dbraw/zinc/50/78/11/564507811.db2.gz GMPQWUYOKXIXKC-LBPRGKRZSA-N 1 1 388.331 2.719 20 30 GFEDMO C[N@@H+](CCCCNC(=O)COc1cccc(Br)c1C#N)C1CC1 ZINC000457185591 564651183 /nfs/dbraw/zinc/65/11/83/564651183.db2.gz PBLBFKICBXBWGW-UHFFFAOYSA-N 1 1 380.286 2.690 20 30 GFEDMO C[N@H+]1CCC[C@H](CCNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000458218010 564694517 /nfs/dbraw/zinc/69/45/17/564694517.db2.gz WHKGPEGZZMUYKH-CYBMUJFWSA-N 1 1 380.286 2.548 20 30 GFEDMO C=CCN1CC[C@H]([N@H+](C)CC2=Cc3cc(Br)ccc3OC2)C1=O ZINC000467517620 564966668 /nfs/dbraw/zinc/96/66/68/564966668.db2.gz GYQBSYWQAVMMHO-INIZCTEOSA-N 1 1 377.282 2.944 20 30 GFEDMO C=CCN1CC[C@H]([N@@H+](C)CC2=Cc3cc(Br)ccc3OC2)C1=O ZINC000467517620 564966670 /nfs/dbraw/zinc/96/66/70/564966670.db2.gz GYQBSYWQAVMMHO-INIZCTEOSA-N 1 1 377.282 2.944 20 30 GFEDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000561732517 565007395 /nfs/dbraw/zinc/00/73/95/565007395.db2.gz FCUMQEMAJXPSFQ-LBPRGKRZSA-N 1 1 377.432 2.976 20 30 GFEDMO CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccsc1C#N ZINC000593575310 565344214 /nfs/dbraw/zinc/34/42/14/565344214.db2.gz GAZJMZDQVGWXAI-INIZCTEOSA-N 1 1 375.519 2.905 20 30 GFEDMO CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccsc1C#N ZINC000593575310 565344216 /nfs/dbraw/zinc/34/42/16/565344216.db2.gz GAZJMZDQVGWXAI-INIZCTEOSA-N 1 1 375.519 2.905 20 30 GFEDMO CC1(C)CN(c2c(C#N)cnc3c(Br)cccc32)CC[N@H+]1CCO ZINC000619651570 565354241 /nfs/dbraw/zinc/35/42/41/565354241.db2.gz GOHFEWUTZYQXSQ-UHFFFAOYSA-N 1 1 389.297 2.762 20 30 GFEDMO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000594788963 565421450 /nfs/dbraw/zinc/42/14/50/565421450.db2.gz HBXNTCZZZCVSKH-LBPRGKRZSA-N 1 1 375.416 2.728 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000594788963 565421456 /nfs/dbraw/zinc/42/14/56/565421456.db2.gz HBXNTCZZZCVSKH-LBPRGKRZSA-N 1 1 375.416 2.728 20 30 GFEDMO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000594789052 565422163 /nfs/dbraw/zinc/42/21/63/565422163.db2.gz JUPFAQOSXNFBDD-GFCCVEGCSA-N 1 1 375.416 2.728 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000594789052 565422166 /nfs/dbraw/zinc/42/21/66/565422166.db2.gz JUPFAQOSXNFBDD-GFCCVEGCSA-N 1 1 375.416 2.728 20 30 GFEDMO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000598588963 565628590 /nfs/dbraw/zinc/62/85/90/565628590.db2.gz FHJLRCRQBLZAHV-MRXNPFEDSA-N 1 1 394.313 2.508 20 30 GFEDMO Cc1ccc2c(ncc(C#N)c2NCC[N@H+]2CC[C@@H](O)C2)c1Br ZINC000599175564 565660315 /nfs/dbraw/zinc/66/03/15/565660315.db2.gz FOYHMCWONTXKAS-CYBMUJFWSA-N 1 1 375.270 2.656 20 30 GFEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000599651404 565695172 /nfs/dbraw/zinc/69/51/72/565695172.db2.gz HEMZFPDJSLSKBI-OCCSQVGLSA-N 1 1 380.286 2.639 20 30 GFEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000602796649 565867719 /nfs/dbraw/zinc/86/77/19/565867719.db2.gz RIVMWXWCNKCIHR-WMZOPIPTSA-N 1 1 386.323 2.899 20 30 GFEDMO N#C[C@H](NC(=O)CCCC[NH+]1CCOCC1)c1ccccc1Br ZINC000609591009 566045409 /nfs/dbraw/zinc/04/54/09/566045409.db2.gz OMNGODGKONWRAM-INIZCTEOSA-N 1 1 380.286 2.632 20 30 GFEDMO N#Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000737716343 598919262 /nfs/dbraw/zinc/91/92/62/598919262.db2.gz PLZUYSQIPOLLMT-QGZVFWFLSA-N 1 1 387.447 2.589 20 30 GFEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)[C@H]1CCc2ccccc21 ZINC000735375233 598758153 /nfs/dbraw/zinc/75/81/53/598758153.db2.gz WEKVQOLGSZLSNJ-FQEVSTJZSA-N 1 1 386.459 2.818 20 30 GFEDMO C=CC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccc(OC)cc1 ZINC000819743561 599305479 /nfs/dbraw/zinc/30/54/79/599305479.db2.gz MAHNWUDROASVTN-UHFFFAOYSA-N 1 1 392.463 2.892 20 30 GFEDMO N#Cc1ccc(OCCC[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826386069 608071183 /nfs/dbraw/zinc/07/11/83/608071183.db2.gz NSUGVJXLSLWZKT-HXUWFJFHSA-N 1 1 390.447 2.581 20 30 GFEDMO N#Cc1ccc(OCCC[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826386069 608071184 /nfs/dbraw/zinc/07/11/84/608071184.db2.gz NSUGVJXLSLWZKT-HXUWFJFHSA-N 1 1 390.447 2.581 20 30 GFEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826387141 608462374 /nfs/dbraw/zinc/46/23/74/608462374.db2.gz IBAYPYLIYKESMZ-UHFFFAOYSA-N 1 1 399.458 2.856 20 30 GFEDMO C#C[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)C1CCOCC1 ZINC000827560504 660502430 /nfs/dbraw/zinc/50/24/30/660502430.db2.gz QSJAUNIZTONRGS-MRXNPFEDSA-N 1 1 375.270 2.548 20 30 GFEDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)COc1cccc(Br)c1C#N ZINC000835211020 660844990 /nfs/dbraw/zinc/84/49/90/660844990.db2.gz DEYICIBFMYVURG-LLVKDONJSA-N 1 1 378.226 2.836 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000836418734 660904618 /nfs/dbraw/zinc/90/46/18/660904618.db2.gz LVYQUWBRLSGITN-ZDUSSCGKSA-N 1 1 382.302 2.773 20 30 GFEDMO C=C(Br)CNC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000069117526 654973644 /nfs/dbraw/zinc/97/36/44/654973644.db2.gz WVJAVBMZFTYDDM-UHFFFAOYSA-N 1 1 382.302 2.821 20 30 GFEDMO C#CCOc1ccc(Br)cc1C[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000113345237 655208295 /nfs/dbraw/zinc/20/82/95/655208295.db2.gz AQJCYKLKISYOFM-UHFFFAOYSA-N 1 1 388.327 2.764 20 30 GFEDMO C#CCOCCC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000839943686 661119428 /nfs/dbraw/zinc/11/94/28/661119428.db2.gz XWCIZYPODRGZPS-UHFFFAOYSA-N 1 1 379.298 2.570 20 30 GFEDMO N#Cc1cc(Br)ccc1C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000595810536 655513168 /nfs/dbraw/zinc/51/31/68/655513168.db2.gz ZATXTUJRAVDCMK-UHFFFAOYSA-N 1 1 378.314 2.865 20 30 GFEDMO C[NH+]1CCC(C/N=C/c2cc(Cl)cc(Cl)c2O)(N2CCOCC2)CC1 ZINC000840711470 661177481 /nfs/dbraw/zinc/17/74/81/661177481.db2.gz RAWUKAPTTMKCLH-CIAFOILYSA-N 1 1 386.323 2.915 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc(I)ccc1F ZINC000756544586 655901765 /nfs/dbraw/zinc/90/17/65/655901765.db2.gz PPWYJLVEUNEGMG-GFCCVEGCSA-N 1 1 387.192 2.685 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc(I)ccc1F ZINC000756544586 655901766 /nfs/dbraw/zinc/90/17/66/655901766.db2.gz PPWYJLVEUNEGMG-GFCCVEGCSA-N 1 1 387.192 2.685 20 30 GFEDMO CCCOc1c(Br)cc(C=NNC2=[NH+]C[C@H](C)N2)cc1OCC ZINC000779798249 656943391 /nfs/dbraw/zinc/94/33/91/656943391.db2.gz NUEJRUAYMZVDLB-NSHDSACASA-N 1 1 383.290 2.908 20 30 GFEDMO CC(C)(C)OC(=O)NCC1(C=[NH+]n2cc(Br)cn2)CCOCC1 ZINC000814225950 660074897 /nfs/dbraw/zinc/07/48/97/660074897.db2.gz YPTZMFSTJSTBDP-UHFFFAOYSA-N 1 1 387.278 2.801 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cc1OC ZINC000862545203 662291007 /nfs/dbraw/zinc/29/10/07/662291007.db2.gz KJIUNDPARPSHFK-CHWSQXEVSA-N 1 1 382.254 2.627 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cc1OC ZINC000862545203 662291011 /nfs/dbraw/zinc/29/10/11/662291011.db2.gz KJIUNDPARPSHFK-CHWSQXEVSA-N 1 1 382.254 2.627 20 30 GFEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000872793821 662788912 /nfs/dbraw/zinc/78/89/12/662788912.db2.gz CZZASRHSCAJRGQ-GJZGRUSLSA-N 1 1 377.535 2.638 20 30 GFEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000872793821 662788914 /nfs/dbraw/zinc/78/89/14/662788914.db2.gz CZZASRHSCAJRGQ-GJZGRUSLSA-N 1 1 377.535 2.638 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883115639 663049791 /nfs/dbraw/zinc/04/97/91/663049791.db2.gz CTGCDUVKTMCGEY-LLVKDONJSA-N 1 1 380.290 2.958 20 30 GFEDMO N#CC1(C[C@H](O)C[N@H+](CCO)Cc2cc(Br)ccc2F)CCC1 ZINC000885985406 663102391 /nfs/dbraw/zinc/10/23/91/663102391.db2.gz HCUOBHGYLWUYNK-HNNXBMFYSA-N 1 1 385.277 2.827 20 30 GFEDMO C#CCOc1ccc(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)cc1 ZINC000894907080 663487625 /nfs/dbraw/zinc/48/76/25/663487625.db2.gz OYGBRVTWIYMDFF-UHFFFAOYSA-N 1 1 377.897 2.935 20 30 GFEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000916309749 664456950 /nfs/dbraw/zinc/45/69/50/664456950.db2.gz HILPGQBXWBLNKD-UHFFFAOYSA-N 1 1 389.352 2.904 20 30 GFEDMO C#CC[NH+]1CCC(NC(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)CC1 ZINC000928655612 664736406 /nfs/dbraw/zinc/73/64/06/664736406.db2.gz UMSDENNNQMJWRA-AWEZNQCLSA-N 1 1 391.309 2.872 20 30 GFEDMO N#Cc1nc(Cl)c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1C#N ZINC001164629334 719078665 /nfs/dbraw/zinc/07/86/65/719078665.db2.gz XKVCDQAFHQKRRK-QAPCUYQASA-N 1 1 378.867 2.974 20 30 GFEDMO COc1nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1C#N ZINC001164843627 720675701 /nfs/dbraw/zinc/67/57/01/720675701.db2.gz WNMOVZVEHYLJGT-LJQANCHMSA-N 1 1 393.491 2.617 20 30 GFEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cncc(CC#N)n1)CC2 ZINC001164839808 720706640 /nfs/dbraw/zinc/70/66/40/720706640.db2.gz NECNSKOVMKYWON-HXUWFJFHSA-N 1 1 377.492 2.803 20 30 GFEDMO N#Cc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc2ccccc12 ZINC001164881114 721139981 /nfs/dbraw/zinc/13/99/81/721139981.db2.gz ZCCROWIFHYVXLP-VQTJNVASSA-N 1 1 385.471 2.981 20 30 GFEDMO Cc1nc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164903432 721535751 /nfs/dbraw/zinc/53/57/51/721535751.db2.gz CNPCIUXOLSRXJI-GDBMZVCRSA-N 1 1 387.846 2.791 20 30 GFEDMO Cc1ccc(CC#N)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164811978 721581756 /nfs/dbraw/zinc/58/17/56/721581756.db2.gz ZGAOQRNGBUJXCE-ACRUOGEOSA-N 1 1 377.492 2.719 20 30 GFEDMO Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(C#N)n1 ZINC001164908533 721719990 /nfs/dbraw/zinc/71/99/90/721719990.db2.gz XQQCMYCYTZQIAR-IBGZPJMESA-N 1 1 384.434 2.789 20 30 GFEDMO N#Cc1cnc(Cl)cc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986041 722103008 /nfs/dbraw/zinc/10/30/08/722103008.db2.gz XUMQNUXRACBAAM-VQIMIIECSA-N 1 1 383.883 2.729 20 30 GFEDMO C[N@@H+](Cc1ccc(Br)o1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000030536917 551127763 /nfs/dbraw/zinc/12/77/63/551127763.db2.gz UGPNBVUEUWLXJV-AWEZNQCLSA-N 1 1 379.254 2.980 20 30 GFEDMO C[N@H+](Cc1ccc(Br)o1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000030536917 551127767 /nfs/dbraw/zinc/12/77/67/551127767.db2.gz UGPNBVUEUWLXJV-AWEZNQCLSA-N 1 1 379.254 2.980 20 30 GFEDMO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000181440258 552257255 /nfs/dbraw/zinc/25/72/55/552257255.db2.gz RFZYBHBASDEYDI-WBVHZDCISA-N 1 1 392.297 2.585 20 30 GFEDMO C[S@@](=O)C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000183090508 552299792 /nfs/dbraw/zinc/29/97/92/552299792.db2.gz RBJWARQQVRNZQO-CRICUBBOSA-N 1 1 375.881 2.860 20 30 GFEDMO Cc1sc(NC(=O)C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c(C#N)c1C ZINC000183121883 552300930 /nfs/dbraw/zinc/30/09/30/552300930.db2.gz IBIXHHZSBLYKDN-LMKMVOKYSA-N 1 1 375.519 2.885 20 30 GFEDMO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1COc2cc(F)c(Br)cc21 ZINC000328814858 563465180 /nfs/dbraw/zinc/46/51/80/563465180.db2.gz NNEVVJOKBWCKRD-NOZJJQNGSA-N 1 1 395.232 2.737 20 30 GFEDMO CC1=CC[N@@H+](CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000329086016 563472549 /nfs/dbraw/zinc/47/25/49/563472549.db2.gz GOQIUMGYSKYCLP-OAHLLOKOSA-N 1 1 383.539 2.510 20 30 GFEDMO O=C(CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1ccc(Br)cc1F ZINC000330099778 563495337 /nfs/dbraw/zinc/49/53/37/563495337.db2.gz DKVZHJZOBGDNAI-LBPRGKRZSA-N 1 1 399.220 2.643 20 30 GFEDMO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)cc1 ZINC000284935155 563495586 /nfs/dbraw/zinc/49/55/86/563495586.db2.gz YLMHEHMOAWEHCQ-GFCCVEGCSA-N 1 1 377.491 2.703 20 30 GFEDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CC[N@H+]1C ZINC000330612371 563513610 /nfs/dbraw/zinc/51/36/10/563513610.db2.gz XNRDBRIVXRBSEM-PWSUYJOCSA-N 1 1 389.315 2.640 20 30 GFEDMO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411987300 563643397 /nfs/dbraw/zinc/64/33/97/563643397.db2.gz UVJPNRIEKFUGHM-IBGZPJMESA-N 1 1 384.277 2.950 20 30 GFEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411987300 563643398 /nfs/dbraw/zinc/64/33/98/563643398.db2.gz UVJPNRIEKFUGHM-IBGZPJMESA-N 1 1 384.277 2.950 20 30 GFEDMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc(C#N)s2)cc1F ZINC000435424764 563649437 /nfs/dbraw/zinc/64/94/37/563649437.db2.gz AMUJZYOPTNIBAW-UHFFFAOYSA-N 1 1 376.438 2.732 20 30 GFEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000443082634 563791122 /nfs/dbraw/zinc/79/11/22/563791122.db2.gz AMJNHQXSRWKDMT-QGZVFWFLSA-N 1 1 375.881 2.764 20 30 GFEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000443082634 563791123 /nfs/dbraw/zinc/79/11/23/563791123.db2.gz AMJNHQXSRWKDMT-QGZVFWFLSA-N 1 1 375.881 2.764 20 30 GFEDMO N#Cc1cnc2c(Br)cccc2c1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000369189538 563889670 /nfs/dbraw/zinc/88/96/70/563889670.db2.gz SCUKWWXJHGPDIK-CQSZACIVSA-N 1 1 387.281 2.780 20 30 GFEDMO C[C@@H]1C[C@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)CC[N@H+]1C ZINC000449926616 564209685 /nfs/dbraw/zinc/20/96/85/564209685.db2.gz MNXXCNQWGOVSLW-TZMCWYRMSA-N 1 1 380.286 2.641 20 30 GFEDMO N#Cc1cc(Br)cnc1NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000450411750 564231745 /nfs/dbraw/zinc/23/17/45/564231745.db2.gz OTKZZILZFWBFBO-SJORKVTESA-N 1 1 387.281 2.763 20 30 GFEDMO CCC[N@@H+](C)[C@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)c1ccc(Cl)cc1 ZINC000509619229 564305907 /nfs/dbraw/zinc/30/59/07/564305907.db2.gz QBBPYBRJEOJCQL-RHSMWYFYSA-N 1 1 386.949 2.791 20 30 GFEDMO CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000510733155 564345127 /nfs/dbraw/zinc/34/51/27/564345127.db2.gz RHDDEJPQZSQEPF-UHFFFAOYSA-N 1 1 381.885 2.947 20 30 GFEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2cc(Cl)cc3c2OCC3)c1 ZINC000568742585 564432043 /nfs/dbraw/zinc/43/20/43/564432043.db2.gz LHMNSHZKHYENGL-UHFFFAOYSA-N 1 1 376.865 2.710 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000459663825 564755885 /nfs/dbraw/zinc/75/58/85/564755885.db2.gz YPTPHIPMWYVOQM-ZDUSSCGKSA-N 1 1 398.301 2.544 20 30 GFEDMO C=CCOc1c(Br)cc(C[NH2+][C@@H](CO)c2ccnn2C)cc1OC ZINC000459721232 564758929 /nfs/dbraw/zinc/75/89/29/564758929.db2.gz SYBIBKVGWPMURD-AWEZNQCLSA-N 1 1 396.285 2.579 20 30 GFEDMO N#Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000528551623 564794031 /nfs/dbraw/zinc/79/40/31/564794031.db2.gz OAZDKLUAGMSZQU-OAHLLOKOSA-N 1 1 398.326 2.616 20 30 GFEDMO C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000462149683 564823876 /nfs/dbraw/zinc/82/38/76/564823876.db2.gz RFWRYEYKRQNFCM-MRXNPFEDSA-N 1 1 375.881 2.893 20 30 GFEDMO CC[N@H+](CCNS(=O)(=O)c1ccc(Cl)c(C#N)c1)CCC(F)(F)F ZINC000494392243 564828077 /nfs/dbraw/zinc/82/80/77/564828077.db2.gz KQOJJJUDIAZOPP-UHFFFAOYSA-N 1 1 383.823 2.764 20 30 GFEDMO CC[N@@H+](CCNS(=O)(=O)c1ccc(Cl)c(C#N)c1)CCC(F)(F)F ZINC000494392243 564828081 /nfs/dbraw/zinc/82/80/81/564828081.db2.gz KQOJJJUDIAZOPP-UHFFFAOYSA-N 1 1 383.823 2.764 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000530857475 564896140 /nfs/dbraw/zinc/89/61/40/564896140.db2.gz OYRRIVKVQSGTTL-KRWDZBQOSA-N 1 1 381.860 2.932 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000560029984 564945774 /nfs/dbraw/zinc/94/57/74/564945774.db2.gz XSDXRZYMYHZOFE-HUUCEWRRSA-N 1 1 381.929 2.659 20 30 GFEDMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598586988 565629241 /nfs/dbraw/zinc/62/92/41/565629241.db2.gz GKYPAKCEJWWEFZ-AWEZNQCLSA-N 1 1 382.302 2.929 20 30 GFEDMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598586988 565629245 /nfs/dbraw/zinc/62/92/45/565629245.db2.gz GKYPAKCEJWWEFZ-AWEZNQCLSA-N 1 1 382.302 2.929 20 30 GFEDMO COc1ccc(Br)cc1C[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599258438 565664634 /nfs/dbraw/zinc/66/46/34/565664634.db2.gz YUCXZHPIAOLCDD-INIZCTEOSA-N 1 1 397.313 2.961 20 30 GFEDMO CC(C)[C@@H](C#N)N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000609537799 566042501 /nfs/dbraw/zinc/04/25/01/566042501.db2.gz DTDTWVCWMOPHOZ-DOTOQJQBSA-N 1 1 386.323 2.899 20 30 GFEDMO CC(N=Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735450627 599285220 /nfs/dbraw/zinc/28/52/20/599285220.db2.gz BMZCLDDJFQFDDG-IBGZPJMESA-N 1 1 377.452 2.556 20 30 GFEDMO CC(N=Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735450627 599285221 /nfs/dbraw/zinc/28/52/21/599285221.db2.gz BMZCLDDJFQFDDG-IBGZPJMESA-N 1 1 377.452 2.556 20 30 GFEDMO N#Cc1cc(F)ccc1N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737706066 598632180 /nfs/dbraw/zinc/63/21/80/598632180.db2.gz VSEYZFJPVVLMNF-UHFFFAOYSA-N 1 1 377.427 2.590 20 30 GFEDMO COCC[N@@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1ccc(C#N)cc1 ZINC000821689660 606890049 /nfs/dbraw/zinc/89/00/49/606890049.db2.gz HRVLYVHAUSRFBT-UHFFFAOYSA-N 1 1 392.463 2.656 20 30 GFEDMO C#CCCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000823845351 608851521 /nfs/dbraw/zinc/85/15/21/608851521.db2.gz OYSKJQPTOBAVTF-NRFANRHFSA-N 1 1 389.459 2.842 20 30 GFEDMO C#CCCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000823845351 608851522 /nfs/dbraw/zinc/85/15/22/608851522.db2.gz OYSKJQPTOBAVTF-NRFANRHFSA-N 1 1 389.459 2.842 20 30 GFEDMO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000824762196 609140517 /nfs/dbraw/zinc/14/05/17/609140517.db2.gz FDVQEUNBBMNJDG-QRWLVFNGSA-N 1 1 391.454 2.949 20 30 GFEDMO C#CCC[NH+]1CCN(C(=O)c2cc3c(ccc(F)c3Br)[nH]2)CC1 ZINC000822935371 660358496 /nfs/dbraw/zinc/35/84/96/660358496.db2.gz RJMLEMZUHIHUAS-UHFFFAOYSA-N 1 1 378.245 2.851 20 30 GFEDMO C[C@](C#N)(NC(=O)C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000078772624 655005224 /nfs/dbraw/zinc/00/52/24/655005224.db2.gz SSYXUHNWHGMZSL-GOSISDBHSA-N 1 1 384.307 2.986 20 30 GFEDMO C[C@](C#N)(NC(=O)C[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000078772624 655005226 /nfs/dbraw/zinc/00/52/26/655005226.db2.gz SSYXUHNWHGMZSL-GOSISDBHSA-N 1 1 384.307 2.986 20 30 GFEDMO CCCC(N)=[NH+]OCC(=O)Nc1ccc(I)cc1C ZINC000105605425 655095840 /nfs/dbraw/zinc/09/58/40/655095840.db2.gz ZHTLKQQHSURCLL-UHFFFAOYSA-N 1 1 375.210 2.627 20 30 GFEDMO C=CCS(=O)(=O)CC[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000272843465 655123104 /nfs/dbraw/zinc/12/31/04/655123104.db2.gz NMOBQXSIXAITPR-UHFFFAOYSA-N 1 1 398.326 2.634 20 30 GFEDMO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1n[nH]c(=S)s1 ZINC000176138381 655236702 /nfs/dbraw/zinc/23/67/02/655236702.db2.gz CDPARAGXMQNXOW-UHFFFAOYSA-N 1 1 393.563 2.755 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(OC)c(I)c1 ZINC000756541949 655901633 /nfs/dbraw/zinc/90/16/33/655901633.db2.gz DYUAAHKDTAUWOX-CYBMUJFWSA-N 1 1 399.228 2.554 20 30 GFEDMO C#CC[N@H+](CC)Cc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000769110905 656265369 /nfs/dbraw/zinc/26/53/69/656265369.db2.gz JXMOTAOPGHSIQF-UHFFFAOYSA-N 1 1 397.313 2.770 20 30 GFEDMO C#CC[N@H+](C[C@@H](O)CCOCC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000769727509 656288267 /nfs/dbraw/zinc/28/82/67/656288267.db2.gz WWVNQTBXKJUPEK-DOTOQJQBSA-N 1 1 382.298 2.995 20 30 GFEDMO C#CCOc1cccc(Cl)c1C[NH2+]CCNS(=O)(=O)c1ccc(C)s1 ZINC000778173016 656868984 /nfs/dbraw/zinc/86/89/84/656868984.db2.gz CZABCBJXUUNDKQ-UHFFFAOYSA-N 1 1 398.937 2.790 20 30 GFEDMO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000796516793 658921702 /nfs/dbraw/zinc/92/17/02/658921702.db2.gz OLDMUIAOYQOCRJ-INIZCTEOSA-N 1 1 376.806 2.705 20 30 GFEDMO C#CC[N@H+](C)CCCN[C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000815651799 660127221 /nfs/dbraw/zinc/12/72/21/660127221.db2.gz DNYHATIVEBUOOL-AWEZNQCLSA-N 1 1 390.329 2.944 20 30 GFEDMO C#CC1CC[NH+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CC1 ZINC000842633545 661346703 /nfs/dbraw/zinc/34/67/03/661346703.db2.gz KIJKWAZDYQGGCG-SFHVURJKSA-N 1 1 390.281 2.519 20 30 GFEDMO C#CC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000843267649 661374903 /nfs/dbraw/zinc/37/49/03/661374903.db2.gz BWVWLCXRWJSKTC-CZUORRHYSA-N 1 1 375.266 2.816 20 30 GFEDMO COc1ncc(Br)cc1C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000852211132 661856606 /nfs/dbraw/zinc/85/66/06/661856606.db2.gz PSOANQGJPWYDCQ-MRXNPFEDSA-N 1 1 376.254 2.890 20 30 GFEDMO COc1ncc(Br)cc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000852211132 661856610 /nfs/dbraw/zinc/85/66/10/661856610.db2.gz PSOANQGJPWYDCQ-MRXNPFEDSA-N 1 1 376.254 2.890 20 30 GFEDMO Cn1nccc1[C@H](O)C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000856796880 662044430 /nfs/dbraw/zinc/04/44/30/662044430.db2.gz VUDIOMNVAFAUGI-GOSISDBHSA-N 1 1 389.297 3.000 20 30 GFEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2c(I)cnn2C)cc1 ZINC000866630296 662485229 /nfs/dbraw/zinc/48/52/29/662485229.db2.gz OANYGJYHYMMIRH-GFCCVEGCSA-N 1 1 395.244 2.888 20 30 GFEDMO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000876766256 662866062 /nfs/dbraw/zinc/86/60/62/662866062.db2.gz GFXRPLPTZKLRDN-GJZGRUSLSA-N 1 1 375.822 2.866 20 30 GFEDMO C[C@](O)(C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)C(F)F ZINC000886100602 663103175 /nfs/dbraw/zinc/10/31/75/663103175.db2.gz SDWHPQTVDYCCIN-ZBFHGGJFSA-N 1 1 388.256 2.647 20 30 GFEDMO Cn1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c(I)n1 ZINC000895236080 663504231 /nfs/dbraw/zinc/50/42/31/663504231.db2.gz JYINKLDUAZCRPL-UHFFFAOYSA-N 1 1 380.233 2.921 20 30 GFEDMO CC(=NNCCC[NH+]1CCOCC1)c1ncc(Br)cc1Cl ZINC000901234009 663732891 /nfs/dbraw/zinc/73/28/91/663732891.db2.gz BZPIXFMUWCLHOD-UHFFFAOYSA-N 1 1 375.698 2.533 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000909883542 664181974 /nfs/dbraw/zinc/18/19/74/664181974.db2.gz BJSLIAQNZJLPLS-QGZVFWFLSA-N 1 1 383.286 2.799 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)Cc1csc(C#N)c1)c1ccc(Cl)cc1 ZINC000914214700 664386664 /nfs/dbraw/zinc/38/66/64/664386664.db2.gz PTBVVTMRIQVENI-MRXNPFEDSA-N 1 1 383.926 2.995 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000916660588 664468360 /nfs/dbraw/zinc/46/83/60/664468360.db2.gz SHMGJTXXOGUJRD-CABCVRRESA-N 1 1 375.519 2.654 20 30 GFEDMO C#CC[C@@H](CO)NC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000921905531 664575400 /nfs/dbraw/zinc/57/54/00/664575400.db2.gz NWASWLIWRVXCMD-KRWDZBQOSA-N 1 1 384.307 2.641 20 30 GFEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Br)nc1N ZINC000929395448 664751687 /nfs/dbraw/zinc/75/16/87/664751687.db2.gz RMFIVSXDMVBZKA-UHFFFAOYSA-N 1 1 375.270 2.947 20 30 GFEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Br)nc1N ZINC000929395448 664751688 /nfs/dbraw/zinc/75/16/88/664751688.db2.gz RMFIVSXDMVBZKA-UHFFFAOYSA-N 1 1 375.270 2.947 20 30 GFEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000932211106 664813948 /nfs/dbraw/zinc/81/39/48/664813948.db2.gz SAVVZLODXLOLDA-IUODEOHRSA-N 1 1 380.286 2.870 20 30 GFEDMO CCN(C)C(=O)CC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941294 664843495 /nfs/dbraw/zinc/84/34/95/664843495.db2.gz LZCQJAGNGXNHHP-DTORHVGOSA-N 1 1 382.295 2.958 20 30 GFEDMO COC(=O)c1cc(C#N)cnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164628809 719108616 /nfs/dbraw/zinc/10/86/16/719108616.db2.gz OOBLPDKDONAAQZ-AZUAARDMSA-N 1 1 376.460 2.841 20 30 GFEDMO Cc1nc(C#N)cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836454 720727376 /nfs/dbraw/zinc/72/73/76/720727376.db2.gz AWESGNFSKSDILX-HXUWFJFHSA-N 1 1 377.492 2.917 20 30 GFEDMO N#Cc1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164751193 720808164 /nfs/dbraw/zinc/80/81/64/720808164.db2.gz XJLCOLQMELDZJO-KZNAEPCWSA-N 1 1 397.914 2.578 20 30 GFEDMO N#Cc1cc(F)c(Cl)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866075 721044950 /nfs/dbraw/zinc/04/49/50/721044950.db2.gz CIKPXMWRIDRWOS-HZPDHXFCSA-N 1 1 387.846 2.620 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccncc5)ccc4C#N)C[C@@H]3C2)cn1 ZINC001164773352 721189264 /nfs/dbraw/zinc/18/92/64/721189264.db2.gz WNDKXEQROVRHDQ-RTWAWAEBSA-N 1 1 399.502 2.707 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccncc5)ccc4C#N)C[C@H]3C2)cn1 ZINC001164773351 721189640 /nfs/dbraw/zinc/18/96/40/721189640.db2.gz WNDKXEQROVRHDQ-NHCUHLMSSA-N 1 1 399.502 2.707 20 30 GFEDMO N#CC1(c2ccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc2)CCOCC1 ZINC001164785589 721423075 /nfs/dbraw/zinc/42/30/75/721423075.db2.gz NRGSXXDQGCKIFI-IRXDYDNUSA-N 1 1 395.532 2.678 20 30 GFEDMO Cc1ccc(CC#N)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164811980 721581352 /nfs/dbraw/zinc/58/13/52/721581352.db2.gz ZGAOQRNGBUJXCE-HKBOAZHASA-N 1 1 377.492 2.719 20 30 GFEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc4c(C#N)c[nH]c4n3)C[C@@H]21 ZINC001165027323 721819804 /nfs/dbraw/zinc/81/98/04/721819804.db2.gz UHWMTZJFMIFNDV-UIAACRFSSA-N 1 1 387.491 2.961 20 30 GFEDMO C=CC[NH+]1CCN(c2nc(C(OC)OC)ccc2NC(=O)C(C)(C)C)CC1 ZINC001165031868 721869092 /nfs/dbraw/zinc/86/90/92/721869092.db2.gz BTXWUMXMCAMYIN-UHFFFAOYSA-N 1 1 376.501 2.666 20 30 GFEDMO Cc1ccc([C@@H](C#N)c2ccc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nn2)cc1 ZINC001164966190 722067883 /nfs/dbraw/zinc/06/78/83/722067883.db2.gz XNAYOQMCWHCXIN-QHAWAJNXSA-N 1 1 389.503 2.740 20 30 GFEDMO Cc1cc(C#N)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164972431 722110585 /nfs/dbraw/zinc/11/05/85/722110585.db2.gz FHYSIVXSDNBJTJ-CTNGQTDRSA-N 1 1 377.492 2.692 20 30 GFEDMO COc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000053720987 222012675 /nfs/dbraw/zinc/01/26/75/222012675.db2.gz QQMAIHLREWQGPH-UHFFFAOYSA-N 1 1 379.460 2.924 20 30 GFEDMO COc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000053720987 222012678 /nfs/dbraw/zinc/01/26/78/222012678.db2.gz QQMAIHLREWQGPH-UHFFFAOYSA-N 1 1 379.460 2.924 20 30 GFEDMO Cn1cc(Br)cc1C[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000151588298 551417037 /nfs/dbraw/zinc/41/70/37/551417037.db2.gz WZNYAEJUSMCWDW-INIZCTEOSA-N 1 1 378.270 2.531 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C(N)=O)C2)cc1OCC ZINC000157109576 551533323 /nfs/dbraw/zinc/53/33/23/551533323.db2.gz LFVXTCANOCDYKI-ZDUSSCGKSA-N 1 1 383.286 2.720 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C(N)=O)C2)cc1OCC ZINC000157109576 551533324 /nfs/dbraw/zinc/53/33/24/551533324.db2.gz LFVXTCANOCDYKI-ZDUSSCGKSA-N 1 1 383.286 2.720 20 30 GFEDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CCCSCC#N)C2)cc1 ZINC000174134023 552100363 /nfs/dbraw/zinc/10/03/63/552100363.db2.gz JQJBRFYSVCQVIP-KRWDZBQOSA-N 1 1 381.567 2.632 20 30 GFEDMO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000179382859 552191710 /nfs/dbraw/zinc/19/17/10/552191710.db2.gz VYKNFNOEFSHVIH-KDOFPFPSSA-N 1 1 394.313 2.973 20 30 GFEDMO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000179382859 552191714 /nfs/dbraw/zinc/19/17/14/552191714.db2.gz VYKNFNOEFSHVIH-KDOFPFPSSA-N 1 1 394.313 2.973 20 30 GFEDMO C[C@@H]([NH2+]CC(=O)NCC#N)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184957059 552348868 /nfs/dbraw/zinc/34/88/68/552348868.db2.gz NDLYODHZSHUFJW-SNVBAGLBSA-N 1 1 379.283 2.863 20 30 GFEDMO C=CC[N@H+](CCOC)Cc1cc(I)c(OC)c(OC)c1 ZINC000191756074 552536746 /nfs/dbraw/zinc/53/67/46/552536746.db2.gz BFGWOYUNUGJPNB-UHFFFAOYSA-N 1 1 391.249 2.943 20 30 GFEDMO COCCCNC(=O)C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000191777404 552537543 /nfs/dbraw/zinc/53/75/43/552537543.db2.gz ICEDXAKYOMLGAQ-UHFFFAOYSA-N 1 1 394.313 2.685 20 30 GFEDMO C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(C#N)ccc2Br)CC1 ZINC000191785167 552537886 /nfs/dbraw/zinc/53/78/86/552537886.db2.gz OSSNIDAQIYMGEA-AWEZNQCLSA-N 1 1 380.330 2.845 20 30 GFEDMO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cc(C#N)ccc2Br)CC1 ZINC000191785167 552537889 /nfs/dbraw/zinc/53/78/89/552537889.db2.gz OSSNIDAQIYMGEA-AWEZNQCLSA-N 1 1 380.330 2.845 20 30 GFEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000191789745 552538100 /nfs/dbraw/zinc/53/81/00/552538100.db2.gz SPPCCZPJDIPJLV-MRXNPFEDSA-N 1 1 378.314 2.865 20 30 GFEDMO N#Cc1ncn(C2CC[NH+](Cc3ccc(I)cc3)CC2)n1 ZINC000370119734 563234119 /nfs/dbraw/zinc/23/41/19/563234119.db2.gz FUSKNZKKNRROAS-UHFFFAOYSA-N 1 1 393.232 2.591 20 30 GFEDMO N#CC1(NC(=O)C[NH+]2CCC(n3cc(Br)cn3)CC2)CCCCC1 ZINC000374010630 563358206 /nfs/dbraw/zinc/35/82/06/563358206.db2.gz QJOHBVGLNMTWND-UHFFFAOYSA-N 1 1 394.317 2.625 20 30 GFEDMO Cc1c(Br)ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1F ZINC000330586904 563511853 /nfs/dbraw/zinc/51/18/53/563511853.db2.gz WZLGHGXVKNCEAL-GHMZBOCLSA-N 1 1 388.281 2.829 20 30 GFEDMO Cc1c(Br)ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1F ZINC000330586904 563511855 /nfs/dbraw/zinc/51/18/55/563511855.db2.gz WZLGHGXVKNCEAL-GHMZBOCLSA-N 1 1 388.281 2.829 20 30 GFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C#N)s1 ZINC000398049203 563532603 /nfs/dbraw/zinc/53/26/03/563532603.db2.gz VMAWWTCQLKBZRR-RHSMWYFYSA-N 1 1 375.519 2.809 20 30 GFEDMO N#Cc1ccc2ncc(C[NH2+][C@H](CO)c3ccc(Br)c(F)c3)n2c1 ZINC000430132266 563534698 /nfs/dbraw/zinc/53/46/98/563534698.db2.gz NVJJGRKPBXWKOG-MRXNPFEDSA-N 1 1 389.228 2.931 20 30 GFEDMO C[N@H+](CCSCCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000289684695 563682935 /nfs/dbraw/zinc/68/29/35/563682935.db2.gz PVVDQJDYJMBAMQ-UHFFFAOYSA-N 1 1 375.519 2.592 20 30 GFEDMO C[N@@H+](CCSCCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000289684695 563682936 /nfs/dbraw/zinc/68/29/36/563682936.db2.gz PVVDQJDYJMBAMQ-UHFFFAOYSA-N 1 1 375.519 2.592 20 30 GFEDMO C=CC[C@H](CO)NC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413881774 563708918 /nfs/dbraw/zinc/70/89/18/563708918.db2.gz PRUONQOCGFSKGS-QGZVFWFLSA-N 1 1 396.329 2.650 20 30 GFEDMO C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000440265103 563738219 /nfs/dbraw/zinc/73/82/19/563738219.db2.gz ATHGOAYTJVDADB-CYBMUJFWSA-N 1 1 382.302 2.920 20 30 GFEDMO C[N@@H+]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000414467083 563741841 /nfs/dbraw/zinc/74/18/41/563741841.db2.gz VYFZJPHOTYTYMZ-NVXWUHKLSA-N 1 1 375.881 2.588 20 30 GFEDMO C[N@H+]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000414467083 563741843 /nfs/dbraw/zinc/74/18/43/563741843.db2.gz VYFZJPHOTYTYMZ-NVXWUHKLSA-N 1 1 375.881 2.588 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)cc1OC ZINC000414494228 563744723 /nfs/dbraw/zinc/74/47/23/563744723.db2.gz DLYJIVRJYZYUFV-CQSZACIVSA-N 1 1 397.313 2.933 20 30 GFEDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000443066267 563790463 /nfs/dbraw/zinc/79/04/63/563790463.db2.gz JPFLPJVEWWPIQV-AWEZNQCLSA-N 1 1 375.416 2.730 20 30 GFEDMO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000443105704 563791711 /nfs/dbraw/zinc/79/17/11/563791711.db2.gz CIOZELAMZUVFPG-LBPRGKRZSA-N 1 1 375.416 2.587 20 30 GFEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)[C@@H](C)C1 ZINC000449987578 564212923 /nfs/dbraw/zinc/21/29/23/564212923.db2.gz QRPOREPEYGQNCU-SUMWQHHRSA-N 1 1 394.313 2.888 20 30 GFEDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)COc1cccc(Br)c1C#N ZINC000450054610 564215647 /nfs/dbraw/zinc/21/56/47/564215647.db2.gz YLDMOQDATMDHDO-KBPBESRZSA-N 1 1 392.297 2.785 20 30 GFEDMO N#CCC1CC[NH+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000540977721 564262374 /nfs/dbraw/zinc/26/23/74/564262374.db2.gz DAHZQOMAAJXMAC-HNNXBMFYSA-N 1 1 376.254 2.707 20 30 GFEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSc2cccc(Cl)c2C#N)C1 ZINC000542103664 564301410 /nfs/dbraw/zinc/30/14/10/564301410.db2.gz XMIIEICBBKFJEW-AWEZNQCLSA-N 1 1 381.929 2.777 20 30 GFEDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000510980011 564351634 /nfs/dbraw/zinc/35/16/34/564351634.db2.gz GGCSDMXCBHBRNC-ZDUSSCGKSA-N 1 1 375.416 2.730 20 30 GFEDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000519837390 564593089 /nfs/dbraw/zinc/59/30/89/564593089.db2.gz ATUCYOGMFCLBMT-LBPRGKRZSA-N 1 1 377.432 2.976 20 30 GFEDMO CC1(C)CCC[N@H+]1CCNC(=O)COc1cccc(Br)c1C#N ZINC000457057935 564645135 /nfs/dbraw/zinc/64/51/35/564645135.db2.gz PBBNXZTWOHXOQH-UHFFFAOYSA-N 1 1 380.286 2.690 20 30 GFEDMO C[N@H+]1CCC[C@H](CCNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000458208423 564694636 /nfs/dbraw/zinc/69/46/36/564694636.db2.gz NQVZLZBPKGWZRE-CYBMUJFWSA-N 1 1 380.286 2.548 20 30 GFEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1cccc(S(N)(=O)=O)c1 ZINC000492580212 564803715 /nfs/dbraw/zinc/80/37/15/564803715.db2.gz CKVXBICCFPUGCW-NSHDSACASA-N 1 1 394.294 2.819 20 30 GFEDMO C[NH+](C)CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C#N)o1 ZINC000584254838 564927887 /nfs/dbraw/zinc/92/78/87/564927887.db2.gz HQAOIXAMGQRZOO-UHFFFAOYSA-N 1 1 398.282 2.671 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000532585909 564940787 /nfs/dbraw/zinc/94/07/87/564940787.db2.gz RLRUKTZONIMOIU-ZDUSSCGKSA-N 1 1 394.313 2.813 20 30 GFEDMO Cc1cnn(CC[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c1 ZINC000560162537 564952361 /nfs/dbraw/zinc/95/23/61/564952361.db2.gz DBMFNWWHNZGJPG-GOSISDBHSA-N 1 1 388.313 2.837 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccc(F)cc1 ZINC000561547640 565001161 /nfs/dbraw/zinc/00/11/61/565001161.db2.gz YWZUMSRMPDGXIX-QGZVFWFLSA-N 1 1 381.860 2.932 20 30 GFEDMO CC[N@@H+](CCOc1ccc(Br)cc1)CCC(=O)N(C)CCC#N ZINC000537850734 565063976 /nfs/dbraw/zinc/06/39/76/565063976.db2.gz DBHIOHCCCQQGQS-UHFFFAOYSA-N 1 1 382.302 2.912 20 30 GFEDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593413753 565330166 /nfs/dbraw/zinc/33/01/66/565330166.db2.gz AGFXDFULCUKQAP-LBPRGKRZSA-N 1 1 375.270 2.821 20 30 GFEDMO CC(C)(CNS(=O)(=O)c1ccsc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000593529313 565337654 /nfs/dbraw/zinc/33/76/54/565337654.db2.gz NTCYIENBXHAYFH-UHFFFAOYSA-N 1 1 375.519 2.735 20 30 GFEDMO CC(C)(CNS(=O)(=O)c1ccsc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000593529313 565337658 /nfs/dbraw/zinc/33/76/58/565337658.db2.gz NTCYIENBXHAYFH-UHFFFAOYSA-N 1 1 375.519 2.735 20 30 GFEDMO C[N@@H+](CCc1cccc(Br)c1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599428005 565678593 /nfs/dbraw/zinc/67/85/93/565678593.db2.gz GFWXCPXARRNDGR-QGZVFWFLSA-N 1 1 381.314 2.995 20 30 GFEDMO N#Cc1cc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)ncc1Br ZINC000603409574 565903966 /nfs/dbraw/zinc/90/39/66/565903966.db2.gz OIHMWXOKKRZHOP-HUUCEWRRSA-N 1 1 377.286 2.771 20 30 GFEDMO CN(CCC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)Cc1cccc(C#N)c1 ZINC000736799309 598982541 /nfs/dbraw/zinc/98/25/41/598982541.db2.gz BLTWKSBUFDMWDL-UHFFFAOYSA-N 1 1 375.480 2.692 20 30 GFEDMO CN(CCC[N@H+](C)Cc1cccc(C#N)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736799309 598982543 /nfs/dbraw/zinc/98/25/43/598982543.db2.gz BLTWKSBUFDMWDL-UHFFFAOYSA-N 1 1 375.480 2.692 20 30 GFEDMO CN(CCC[N@@H+](C)Cc1cccc(C#N)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736799309 598982545 /nfs/dbraw/zinc/98/25/45/598982545.db2.gz BLTWKSBUFDMWDL-UHFFFAOYSA-N 1 1 375.480 2.692 20 30 GFEDMO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000735419250 599370436 /nfs/dbraw/zinc/37/04/36/599370436.db2.gz QYHWRVVLCHBGQH-QGZVFWFLSA-N 1 1 390.491 2.902 20 30 GFEDMO CN1CCC([NH+]2CCC(CC[N@@H+](C)[C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)CC1 ZINC000830923873 601156299 /nfs/dbraw/zinc/15/62/99/601156299.db2.gz VIKOBUCNRSPNKX-JOCHJYFZSA-N 1 1 398.551 2.812 20 30 GFEDMO C#C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)c1ccc(Br)cc1 ZINC000820610782 660299310 /nfs/dbraw/zinc/29/93/10/660299310.db2.gz DMEQVZLEMUULTI-BHYGNILZSA-N 1 1 376.298 2.859 20 30 GFEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000830674361 660672761 /nfs/dbraw/zinc/67/27/61/660672761.db2.gz MKCYDDKRDIIIND-OAHLLOKOSA-N 1 1 375.778 2.743 20 30 GFEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000830674361 660672766 /nfs/dbraw/zinc/67/27/66/660672766.db2.gz MKCYDDKRDIIIND-OAHLLOKOSA-N 1 1 375.778 2.743 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000836195544 660894987 /nfs/dbraw/zinc/89/49/87/660894987.db2.gz YMIGSNDMEHLPKF-CYBMUJFWSA-N 1 1 382.302 2.773 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 ZINC000059746844 654825675 /nfs/dbraw/zinc/82/56/75/654825675.db2.gz LJAFAONBSTYBII-KRWDZBQOSA-N 1 1 381.860 2.932 20 30 GFEDMO C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000067244440 654934685 /nfs/dbraw/zinc/93/46/85/654934685.db2.gz YMOCNPXWCXTXSC-OAHLLOKOSA-N 1 1 375.881 2.893 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000838622640 661051012 /nfs/dbraw/zinc/05/10/12/661051012.db2.gz WXOPSMGKKYPDTJ-INIZCTEOSA-N 1 1 379.302 2.646 20 30 GFEDMO C=C(Br)CNC(=O)N[C@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000156737445 655095393 /nfs/dbraw/zinc/09/53/93/655095393.db2.gz SFTQSCTYJVVGOH-SJORKVTESA-N 1 1 396.329 2.874 20 30 GFEDMO C=C(Br)CNC(=O)N[C@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000156737445 655095395 /nfs/dbraw/zinc/09/53/95/655095395.db2.gz SFTQSCTYJVVGOH-SJORKVTESA-N 1 1 396.329 2.874 20 30 GFEDMO C=CCS(=O)(=O)CC[NH2+]Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000272790365 655121683 /nfs/dbraw/zinc/12/16/83/655121683.db2.gz BXWQPKVYWBOGDM-UHFFFAOYSA-N 1 1 385.892 2.723 20 30 GFEDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000119051974 655287991 /nfs/dbraw/zinc/28/79/91/655287991.db2.gz LRPQLANDMFUMIC-INIZCTEOSA-N 1 1 377.330 2.927 20 30 GFEDMO N#Cc1ccc(Br)c(C[N@H+](CCN2CCOCC2)CC2CC2)c1 ZINC000595805745 655513044 /nfs/dbraw/zinc/51/30/44/655513044.db2.gz BOKDMRHFTMKKNN-UHFFFAOYSA-N 1 1 378.314 2.865 20 30 GFEDMO N#Cc1ccc(Br)c(C[N@@H+](CCN2CCOCC2)CC2CC2)c1 ZINC000595805745 655513045 /nfs/dbraw/zinc/51/30/45/655513045.db2.gz BOKDMRHFTMKKNN-UHFFFAOYSA-N 1 1 378.314 2.865 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000729811973 655568899 /nfs/dbraw/zinc/56/88/99/655568899.db2.gz ICGZSWGFSNSYSW-QWHCGFSZSA-N 1 1 383.275 2.753 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000756546686 655901720 /nfs/dbraw/zinc/90/17/20/655901720.db2.gz FIBYEWNQEPLABK-INIZCTEOSA-N 1 1 388.265 2.889 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000756546686 655901723 /nfs/dbraw/zinc/90/17/23/655901723.db2.gz FIBYEWNQEPLABK-INIZCTEOSA-N 1 1 388.265 2.889 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000790214940 657937051 /nfs/dbraw/zinc/93/70/51/657937051.db2.gz IQNZEXDZBQFCQP-SFHVURJKSA-N 1 1 390.325 2.950 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000790214940 657937065 /nfs/dbraw/zinc/93/70/65/657937065.db2.gz IQNZEXDZBQFCQP-SFHVURJKSA-N 1 1 390.325 2.950 20 30 GFEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000795816461 658854585 /nfs/dbraw/zinc/85/45/85/658854585.db2.gz IQJPAOQKCLPPQB-INIZCTEOSA-N 1 1 378.885 2.756 20 30 GFEDMO N#Cc1ccc(Br)c(COC(=O)CCCC[NH+]2CCOCC2)c1 ZINC000803512363 659585210 /nfs/dbraw/zinc/58/52/10/659585210.db2.gz IDQGVRRFNBBAOB-UHFFFAOYSA-N 1 1 381.270 2.866 20 30 GFEDMO C#CCNC(=O)CC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000815101113 660112235 /nfs/dbraw/zinc/11/22/35/660112235.db2.gz ZRWYCMMRVLFJGL-UHFFFAOYSA-N 1 1 379.298 2.570 20 30 GFEDMO N#Cc1ncc(Br)cc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000853475098 661889881 /nfs/dbraw/zinc/88/98/81/661889881.db2.gz YWELKYIYTJLFFI-MRXNPFEDSA-N 1 1 387.281 2.894 20 30 GFEDMO COCO[C@@H](C)c1cc(F)c(C=NNC2=[NH+]C[C@@H](C)N2)cc1Br ZINC000863104659 662312048 /nfs/dbraw/zinc/31/20/48/662312048.db2.gz CPPZNTFRJXFFSD-ZJUUUORDSA-N 1 1 387.253 2.541 20 30 GFEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Br)c(C#N)n2)[C@@H](C)C1 ZINC000883092425 663048704 /nfs/dbraw/zinc/04/87/04/663048704.db2.gz ORAGLKWKSMVBNZ-SMDDNHRTSA-N 1 1 380.290 2.910 20 30 GFEDMO CCC[N@@H+](C)CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885287608 663088795 /nfs/dbraw/zinc/08/87/95/663088795.db2.gz VBLQMQGTEOYUAV-RKDXNWHRSA-N 1 1 382.295 2.958 20 30 GFEDMO N#CC1(C[C@@H](O)C[N@H+](CCO)Cc2cc(Br)ccc2F)CCC1 ZINC000885985407 663102416 /nfs/dbraw/zinc/10/24/16/663102416.db2.gz HCUOBHGYLWUYNK-OAHLLOKOSA-N 1 1 385.277 2.827 20 30 GFEDMO COc1ccc(Br)c([C@H](CO)[N@H+](C)C[C@@H](O)CC2(C#N)CCC2)c1 ZINC000886228900 663105258 /nfs/dbraw/zinc/10/52/58/663105258.db2.gz HPINOFZTLPLFTH-GUYCJALGSA-N 1 1 397.313 2.868 20 30 GFEDMO COc1ccc(Br)c([C@H](CO)[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)c1 ZINC000886228900 663105260 /nfs/dbraw/zinc/10/52/60/663105260.db2.gz HPINOFZTLPLFTH-GUYCJALGSA-N 1 1 397.313 2.868 20 30 GFEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)S(=O)(=O)c3ccc(C#N)o3)C2)s1 ZINC000907347930 664026772 /nfs/dbraw/zinc/02/67/72/664026772.db2.gz XSNKOUMNGCFNIO-CQSZACIVSA-N 1 1 379.507 2.664 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000914383861 664405072 /nfs/dbraw/zinc/40/50/72/664405072.db2.gz FXWBIYOPZOATAW-AWEZNQCLSA-N 1 1 377.432 2.777 20 30 GFEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000915909757 664444102 /nfs/dbraw/zinc/44/41/02/664444102.db2.gz ZXFNUGHFGLJNON-INIZCTEOSA-N 1 1 381.307 2.969 20 30 GFEDMO COc1c(Br)cc(C=NN2CC[NH+](C)CC2)cc1Br ZINC000915933557 664444815 /nfs/dbraw/zinc/44/48/15/664444815.db2.gz BHWCZKAGFYYRQO-UHFFFAOYSA-N 1 1 391.107 2.802 20 30 GFEDMO N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928075487 664721909 /nfs/dbraw/zinc/72/19/09/664721909.db2.gz CXZPWHPZVXSGCY-JKSUJKDBSA-N 1 1 394.338 2.559 20 30 GFEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000932206821 664813391 /nfs/dbraw/zinc/81/33/91/664813391.db2.gz AMKKYWKHJATTIO-YOEHRIQHSA-N 1 1 380.286 2.917 20 30 GFEDMO C=C(Br)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000997681453 665037420 /nfs/dbraw/zinc/03/74/20/665037420.db2.gz CHDHLPYDYZCFES-JOWCLZMLSA-N 1 1 383.330 2.535 20 30 GFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)ncc1C#N)CC2 ZINC001164716339 720110468 /nfs/dbraw/zinc/11/04/68/720110468.db2.gz KLILOCLDJLEITP-FQEVSTJZSA-N 1 1 392.507 2.559 20 30 GFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C#N)nc(C)n1)CC2 ZINC001164716193 720155960 /nfs/dbraw/zinc/15/59/60/720155960.db2.gz YUEIICQILKZLFY-FQEVSTJZSA-N 1 1 392.507 2.559 20 30 GFEDMO Cc1nc(C#N)cnc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164838262 720706537 /nfs/dbraw/zinc/70/65/37/720706537.db2.gz HQKYAJAIDRFIAR-FQEVSTJZSA-N 1 1 377.492 2.917 20 30 GFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C#N)c(C)n1)CC2 ZINC001164783563 721462971 /nfs/dbraw/zinc/46/29/71/721462971.db2.gz DMICUARVOUDESW-NRFANRHFSA-N 1 1 398.551 2.996 20 30 GFEDMO COc1nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ncc1C#N ZINC001164910019 721749637 /nfs/dbraw/zinc/74/96/37/721749637.db2.gz YEKLYXALKMIDKU-UHFFFAOYSA-N 1 1 390.447 2.540 20 30 GFEDMO COc1nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ncc1C#N ZINC001164910019 721749641 /nfs/dbraw/zinc/74/96/41/721749641.db2.gz YEKLYXALKMIDKU-UHFFFAOYSA-N 1 1 390.447 2.540 20 30 GFEDMO N#Cc1cnc(Cl)cc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164986033 722103072 /nfs/dbraw/zinc/10/30/72/722103072.db2.gz XUMQNUXRACBAAM-APWZRJJASA-N 1 1 383.883 2.729 20 30 GFEDMO Cc1cc(C#N)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164972432 722110744 /nfs/dbraw/zinc/11/07/44/722110744.db2.gz FHYSIVXSDNBJTJ-FPOVZHCZSA-N 1 1 377.492 2.692 20 30 GFEDMO N#Cc1cc2c(nc1N1CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C1)CCC2 ZINC001164981622 722140813 /nfs/dbraw/zinc/14/08/13/722140813.db2.gz PQFCDTHAYWZCOA-SIKLNZKXSA-N 1 1 389.503 2.564 20 30 GFEDMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccc(OCC)cc2)C1 ZINC000010036118 204328946 /nfs/dbraw/zinc/32/89/46/204328946.db2.gz UVMDIDYIQWNZFI-KRWDZBQOSA-N 1 1 387.480 2.607 20 30 GFEDMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccc(OCC)cc2)C1 ZINC000010036118 204328951 /nfs/dbraw/zinc/32/89/51/204328951.db2.gz UVMDIDYIQWNZFI-KRWDZBQOSA-N 1 1 387.480 2.607 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2csc(Br)c2)cc1 ZINC000397410078 563531992 /nfs/dbraw/zinc/53/19/92/563531992.db2.gz VNCHVQSWMYUQOJ-UHFFFAOYSA-N 1 1 385.308 2.946 20 30 GFEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000046526375 551151160 /nfs/dbraw/zinc/15/11/60/551151160.db2.gz JSZRZQRFFIUIIZ-UHFFFAOYSA-N 1 1 383.249 2.961 20 30 GFEDMO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000156162263 551516137 /nfs/dbraw/zinc/51/61/37/551516137.db2.gz AWGIBCCOBKSQEH-HNNXBMFYSA-N 1 1 379.482 2.874 20 30 GFEDMO C[N@@H+]1CC[C@@H](CNS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000166211787 551631499 /nfs/dbraw/zinc/63/14/99/551631499.db2.gz ULHZEUQADFRFQC-BBRMVZONSA-N 1 1 385.892 2.695 20 30 GFEDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000166211787 551631502 /nfs/dbraw/zinc/63/15/02/551631502.db2.gz ULHZEUQADFRFQC-BBRMVZONSA-N 1 1 385.892 2.695 20 30 GFEDMO CC[C@H](CSC)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000179664739 552199227 /nfs/dbraw/zinc/19/92/27/552199227.db2.gz WGWDQMKRAXXGLL-CVEARBPZSA-N 1 1 380.583 2.530 20 30 GFEDMO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccc(C#N)cc2Br)CC1 ZINC000181097072 552246333 /nfs/dbraw/zinc/24/63/33/552246333.db2.gz CKLYNKYIOJYLAL-AWEZNQCLSA-N 1 1 380.330 2.845 20 30 GFEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261803230 553159881 /nfs/dbraw/zinc/15/98/81/553159881.db2.gz OFUFGEHPCSVWRF-KRWDZBQOSA-N 1 1 375.881 2.855 20 30 GFEDMO C[N@H+]1CC[C@H](CNS(=O)(=O)Cc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000369538086 563216018 /nfs/dbraw/zinc/21/60/18/563216018.db2.gz ALOSPXCMHLURJV-AEFFLSMTSA-N 1 1 375.519 2.732 20 30 GFEDMO C=CCn1cc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)nn1 ZINC000424298881 563376252 /nfs/dbraw/zinc/37/62/52/563376252.db2.gz UHLHAJPYJHWIEZ-LBPRGKRZSA-N 1 1 378.274 2.734 20 30 GFEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000301486321 563405439 /nfs/dbraw/zinc/40/54/39/563405439.db2.gz XJXGFXCMDRHEKD-QGZVFWFLSA-N 1 1 377.330 2.927 20 30 GFEDMO CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)s1 ZINC000329309356 563478207 /nfs/dbraw/zinc/47/82/07/563478207.db2.gz ZBUOAKRKGMPMIJ-SCRDCRAPSA-N 1 1 386.543 2.777 20 30 GFEDMO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1CCOc2ccc(Br)cc21 ZINC000330169140 563497917 /nfs/dbraw/zinc/49/79/17/563497917.db2.gz BGAJJTARWIPLGA-OCCSQVGLSA-N 1 1 391.269 2.988 20 30 GFEDMO C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccccc1C#N ZINC000428799589 563502051 /nfs/dbraw/zinc/50/20/51/563502051.db2.gz JUUCCSBVNUQXIU-SJKOYZFVSA-N 1 1 388.265 2.971 20 30 GFEDMO CCOc1c(Cl)cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1Cl ZINC000330997098 563530739 /nfs/dbraw/zinc/53/07/39/563530739.db2.gz OSNQYAYTJMERCY-GFCCVEGCSA-N 1 1 375.300 2.964 20 30 GFEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000443082582 563791219 /nfs/dbraw/zinc/79/12/19/563791219.db2.gz AMJNHQXSRWKDMT-KRWDZBQOSA-N 1 1 375.881 2.764 20 30 GFEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000443082582 563791220 /nfs/dbraw/zinc/79/12/20/563791220.db2.gz AMJNHQXSRWKDMT-KRWDZBQOSA-N 1 1 375.881 2.764 20 30 GFEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449813757 564202826 /nfs/dbraw/zinc/20/28/26/564202826.db2.gz IQYIQKOZTSZEEL-AWEZNQCLSA-N 1 1 394.313 2.936 20 30 GFEDMO C[C@@H]1C[C@@H](N(C)C(=O)COc2cccc(Br)c2C#N)CC[N@H+]1C ZINC000449929126 564209502 /nfs/dbraw/zinc/20/95/02/564209502.db2.gz ROZNSTYHJRRMGJ-OLZOCXBDSA-N 1 1 380.286 2.641 20 30 GFEDMO C[N@H+]1CCC[C@H]2CN(C(=O)COc3cccc(Br)c3C#N)CC[C@@H]21 ZINC000450144995 564219107 /nfs/dbraw/zinc/21/91/07/564219107.db2.gz HUSQBJLAYHBJOY-BBRMVZONSA-N 1 1 392.297 2.642 20 30 GFEDMO C[C@@H]1CN(c2c(C#N)cnc3c(Br)cccc32)C[C@H](C)[N@@H+]1CCO ZINC000450798839 564248550 /nfs/dbraw/zinc/24/85/50/564248550.db2.gz VYMQHRVPGKBAPP-BETUJISGSA-N 1 1 389.297 2.760 20 30 GFEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)COc1cccc(Br)c1C#N ZINC000451719095 564342932 /nfs/dbraw/zinc/34/29/32/564342932.db2.gz IRDPGLRXWWBNAK-ZDUSSCGKSA-N 1 1 380.286 2.690 20 30 GFEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000451717276 564343400 /nfs/dbraw/zinc/34/34/00/564343400.db2.gz BVOJLYVAXBODMN-AWEZNQCLSA-N 1 1 380.286 2.690 20 30 GFEDMO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)CCC1 ZINC000571958778 564574784 /nfs/dbraw/zinc/57/47/84/564574784.db2.gz UKBAHLGEXPMNQB-HNNXBMFYSA-N 1 1 376.298 2.876 20 30 GFEDMO C=CCOCC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456376373 564603247 /nfs/dbraw/zinc/60/32/47/564603247.db2.gz SEBZNLWXMPYIOR-ZDUSSCGKSA-N 1 1 382.302 2.731 20 30 GFEDMO C[C@@H](C#N)CNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000577350244 564735256 /nfs/dbraw/zinc/73/52/56/564735256.db2.gz XREBSUISTGZITG-ZDUSSCGKSA-N 1 1 379.302 2.872 20 30 GFEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000492815963 564804783 /nfs/dbraw/zinc/80/47/83/564804783.db2.gz GDEOGQJNLPHDRD-NSHDSACASA-N 1 1 390.203 2.821 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000557555018 564866941 /nfs/dbraw/zinc/86/69/41/564866941.db2.gz QQTYXRVAGFKNQE-AWEZNQCLSA-N 1 1 383.945 2.907 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)s1 ZINC000559578848 564935851 /nfs/dbraw/zinc/93/58/51/564935851.db2.gz XDUCMMVSZAAQJW-UHFFFAOYSA-N 1 1 385.580 2.650 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658435299 565169354 /nfs/dbraw/zinc/16/93/54/565169354.db2.gz ZLXIGTXJLKLBDG-ZDUSSCGKSA-N 1 1 383.945 2.905 20 30 GFEDMO N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1cc[nH+]cc1Br ZINC000619586177 565351182 /nfs/dbraw/zinc/35/11/82/565351182.db2.gz RNGKNJTVYVVDMC-UHFFFAOYSA-N 1 1 397.280 2.950 20 30 GFEDMO C[C@@H](O)C[N@H+]1CCN(c2c(C#N)cnc3c(Br)cccc32)C[C@H]1C ZINC000619651187 565353979 /nfs/dbraw/zinc/35/39/79/565353979.db2.gz WAKPYFRVTMAIHV-CHWSQXEVSA-N 1 1 389.297 2.760 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000594763330 565417094 /nfs/dbraw/zinc/41/70/94/565417094.db2.gz OGYUMQXXYHNANZ-SMDDNHRTSA-N 1 1 375.519 2.985 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000594763330 565417101 /nfs/dbraw/zinc/41/71/01/565417101.db2.gz OGYUMQXXYHNANZ-SMDDNHRTSA-N 1 1 375.519 2.985 20 30 GFEDMO C=CCn1cc(C[NH2+][C@H]2CCc3ccc(I)cc32)nn1 ZINC000595046216 565446214 /nfs/dbraw/zinc/44/62/14/565446214.db2.gz YUCWWRSEKVTKFM-HNNXBMFYSA-N 1 1 380.233 2.846 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000597859392 565578233 /nfs/dbraw/zinc/57/82/33/565578233.db2.gz DFVJDHKFXZNBQE-CYBMUJFWSA-N 1 1 394.313 2.936 20 30 GFEDMO C[N@@H+](CCc1cccc(Br)c1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599428004 565678525 /nfs/dbraw/zinc/67/85/25/565678525.db2.gz GFWXCPXARRNDGR-KRWDZBQOSA-N 1 1 381.314 2.995 20 30 GFEDMO CC(C)[C@@H](C#N)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000611431940 566128654 /nfs/dbraw/zinc/12/86/54/566128654.db2.gz DHSRKFMXXUUMEN-RDTXWAMCSA-N 1 1 386.323 2.899 20 30 GFEDMO C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)cc1)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000736003458 598899156 /nfs/dbraw/zinc/89/91/56/598899156.db2.gz ZJGCQYVRQAGWHT-QGZVFWFLSA-N 1 1 389.507 2.938 20 30 GFEDMO C[C@H](CN(C)Cc1ccc(C#N)cc1)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736003458 598899157 /nfs/dbraw/zinc/89/91/57/598899157.db2.gz ZJGCQYVRQAGWHT-QGZVFWFLSA-N 1 1 389.507 2.938 20 30 GFEDMO C[C@H](CN(C)Cc1ccc(C#N)cc1)C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736003458 598899158 /nfs/dbraw/zinc/89/91/58/598899158.db2.gz ZJGCQYVRQAGWHT-QGZVFWFLSA-N 1 1 389.507 2.938 20 30 GFEDMO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000735420254 598269505 /nfs/dbraw/zinc/26/95/05/598269505.db2.gz NPCKMDBHWOBIJY-SFHVURJKSA-N 1 1 397.527 2.685 20 30 GFEDMO CCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821094062 599302728 /nfs/dbraw/zinc/30/27/28/599302728.db2.gz CBJMSXZQHBPOLL-UHFFFAOYSA-N 1 1 389.463 2.979 20 30 GFEDMO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000823909705 607781992 /nfs/dbraw/zinc/78/19/92/607781992.db2.gz OAGLDFVRUGUXHH-LJQANCHMSA-N 1 1 397.527 2.685 20 30 GFEDMO C#CCC[N@H+](CCOC)Cc1ccc(Br)cc1N1CCOCC1 ZINC000827823262 660517756 /nfs/dbraw/zinc/51/77/56/660517756.db2.gz MUVCETPYEZWNAY-UHFFFAOYSA-N 1 1 381.314 2.757 20 30 GFEDMO N#Cc1ccc(OCC(=O)O[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000835397222 660855042 /nfs/dbraw/zinc/85/50/42/660855042.db2.gz RVFAEJFBGVPUAE-DZGCQCFKSA-N 1 1 379.254 2.870 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000836385741 660902968 /nfs/dbraw/zinc/90/29/68/660902968.db2.gz JIUAWFRISDVHHD-RHSMWYFYSA-N 1 1 396.329 2.779 20 30 GFEDMO C#C[C@H](NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(Br)cc1 ZINC000836359321 660901557 /nfs/dbraw/zinc/90/15/57/660901557.db2.gz WJFPZENWOTWDRY-AFAVFJNCSA-N 1 1 376.298 2.905 20 30 GFEDMO C#CCC[NH+]1CCN(Cc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000127335318 654827286 /nfs/dbraw/zinc/82/72/86/654827286.db2.gz OHIYMJSGVSSCCC-UHFFFAOYSA-N 1 1 381.299 2.702 20 30 GFEDMO C=C(Br)CNC(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000069119675 654973752 /nfs/dbraw/zinc/97/37/52/654973752.db2.gz UKVXTAJJHCGMKL-UHFFFAOYSA-N 1 1 395.345 2.532 20 30 GFEDMO N#Cc1cccnc1N1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000103465607 655072899 /nfs/dbraw/zinc/07/28/99/655072899.db2.gz LRVLNFGVCJHPDL-QGZVFWFLSA-N 1 1 387.281 2.571 20 30 GFEDMO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ccccc1I ZINC000272906920 655124926 /nfs/dbraw/zinc/12/49/26/655124926.db2.gz VZSRUYHFMATIHY-LLVKDONJSA-N 1 1 379.263 2.543 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(Br)sc1Br ZINC000328187299 655386830 /nfs/dbraw/zinc/38/68/30/655386830.db2.gz PABWSQNLAAYMSE-UHFFFAOYSA-N 1 1 394.132 2.958 20 30 GFEDMO N#Cc1cc(F)c(NCC2([NH+]3CCOCC3)CCOCC2)cc1Br ZINC000580095451 655508349 /nfs/dbraw/zinc/50/83/49/655508349.db2.gz ULIPAHOFIRTQNO-UHFFFAOYSA-N 1 1 398.276 2.753 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)/C=C/c2ccccc2Br)CC1 ZINC000730018192 655570941 /nfs/dbraw/zinc/57/09/41/655570941.db2.gz QCODYDUCXUJFAP-UKTHLTGXSA-N 1 1 385.327 2.990 20 30 GFEDMO FC(F)Oc1c(Br)cccc1C=NNCCC[NH+]1CCOCC1 ZINC000799487191 659193585 /nfs/dbraw/zinc/19/35/85/659193585.db2.gz FVKBKBHCGUNESE-UHFFFAOYSA-N 1 1 392.244 2.696 20 30 GFEDMO C#CCC[NH+]1CCN(C(=O)c2cc(Br)ccc2OC(F)F)CC1 ZINC000843781450 661392407 /nfs/dbraw/zinc/39/24/07/661392407.db2.gz WOFJBTKRPYQTMO-UHFFFAOYSA-N 1 1 387.224 2.832 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856781653 662043913 /nfs/dbraw/zinc/04/39/13/662043913.db2.gz UZRMOCLFQYUTGT-IUCAKERBSA-N 1 1 378.782 2.805 20 30 GFEDMO Cn1cc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c(Br)n1 ZINC000858192152 662104106 /nfs/dbraw/zinc/10/41/06/662104106.db2.gz IPXZUZAHHYSNHM-UHFFFAOYSA-N 1 1 375.270 2.850 20 30 GFEDMO C#CC[N@H+](CCc1cn(C)nn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000859140197 662140364 /nfs/dbraw/zinc/14/03/64/662140364.db2.gz LBUYOCIWEUNHKY-MRXNPFEDSA-N 1 1 375.270 2.579 20 30 GFEDMO C=CCOc1cccc(C[NH2+]Cc2c(I)cnn2C)c1 ZINC000865867594 662447981 /nfs/dbraw/zinc/44/79/81/662447981.db2.gz CSPIXXIAWHWDBS-UHFFFAOYSA-N 1 1 383.233 2.879 20 30 GFEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1N=Nc1cc(Br)ncn1 ZINC000872436033 662766120 /nfs/dbraw/zinc/76/61/20/662766120.db2.gz OJVZLHPNMBGISG-LBPRGKRZSA-N 1 1 375.274 2.944 20 30 GFEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883095811 663048972 /nfs/dbraw/zinc/04/89/72/663048972.db2.gz NVRZETHANQCAGC-LBPRGKRZSA-N 1 1 380.290 2.815 20 30 GFEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2nc(Cl)c(C#N)s2)[C@H](C)C1 ZINC000888412474 663195757 /nfs/dbraw/zinc/19/57/57/663195757.db2.gz LJROTKZKMPKCRK-NEPJUHHUSA-N 1 1 385.921 2.927 20 30 GFEDMO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(C#N)ccc1Br)C2 ZINC000922385627 664598112 /nfs/dbraw/zinc/59/81/12/664598112.db2.gz JXKIBQJCHRPKKT-YRXWBPOGSA-N 1 1 392.341 2.890 20 30 GFEDMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(C#N)ccc1Br)C2 ZINC000922385627 664598115 /nfs/dbraw/zinc/59/81/15/664598115.db2.gz JXKIBQJCHRPKKT-YRXWBPOGSA-N 1 1 392.341 2.890 20 30 GFEDMO CN1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932941058 664843506 /nfs/dbraw/zinc/84/35/06/664843506.db2.gz ABXNLDLUKGAESL-YIZRAAEISA-N 1 1 380.279 2.710 20 30 GFEDMO COc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncc1C#N ZINC001164839200 720507602 /nfs/dbraw/zinc/50/76/02/720507602.db2.gz SZBXRPVYEWGMGV-QXAKKESOSA-N 1 1 380.496 2.536 20 30 GFEDMO Cc1nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cnc1C#N ZINC001164836493 720706964 /nfs/dbraw/zinc/70/69/64/720706964.db2.gz BLUGYVBCBJIKCN-IBGZPJMESA-N 1 1 377.492 2.917 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccncc5)ccc4C#N)C[C@H]3C2)cn1 ZINC001164773350 721190936 /nfs/dbraw/zinc/19/09/36/721190936.db2.gz WNDKXEQROVRHDQ-LEWJYISDSA-N 1 1 399.502 2.707 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(C#N)c(Cl)cc4Cl)C[C@@H]3C2)cn1 ZINC001164759767 721230295 /nfs/dbraw/zinc/23/02/95/721230295.db2.gz BPBOTAVWWCCIEO-KBPBESRZSA-N 1 1 391.306 2.952 20 30 GFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C)c(C#N)n3)C2)C1 ZINC001164778315 721348427 /nfs/dbraw/zinc/34/84/27/721348427.db2.gz MQLITKSWCFWHTE-JOCHJYFZSA-N 1 1 395.507 2.986 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(C#N)c[nH]c3n2)[C@H]2CCCO[C@@H]12 ZINC001164801080 721561337 /nfs/dbraw/zinc/56/13/37/721561337.db2.gz GIZQOIYREXGGPM-QKNQBKEWSA-N 1 1 388.475 2.698 20 30 GFEDMO N#Cc1cc2c(nc1N1CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C1)CCOC2 ZINC001164907268 721561534 /nfs/dbraw/zinc/56/15/34/721561534.db2.gz NRWQMXAUFIEASM-UYAOXDASSA-N 1 1 394.450 2.507 20 30 GFEDMO Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ccc1CC#N ZINC001164811276 721581670 /nfs/dbraw/zinc/58/16/70/721581670.db2.gz XCWLLNOLZHVGBL-JAXLGGSGSA-N 1 1 377.492 2.719 20 30 GFEDMO C=CC[NH+]1CCN(c2nc(/C=C/C(=O)OC)ccc2NC(=O)C(C)(C)C)CC1 ZINC001165032114 721869297 /nfs/dbraw/zinc/86/92/97/721869297.db2.gz ICBWSBQPWZPVNB-CSKARUKUSA-N 1 1 386.496 2.560 20 30 GFEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cncc(CC#N)n4)CC3)C2)cc1 ZINC001164939416 721929644 /nfs/dbraw/zinc/92/96/44/721929644.db2.gz KLATVLMQMFAYNE-UHFFFAOYSA-N 1 1 377.492 2.723 20 30 GFEDMO N#Cc1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164985214 722098656 /nfs/dbraw/zinc/09/86/56/722098656.db2.gz VPAKCSLSLMXSJT-MSOLQXFVSA-N 1 1 383.883 2.729 20 30 GFEDMO N#Cc1cc(Cl)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982775 722134145 /nfs/dbraw/zinc/13/41/45/722134145.db2.gz SIJUNJBGLUIKBU-APWZRJJASA-N 1 1 383.883 2.729 20 30 GFEDMO Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1CC#N ZINC001164972710 722145551 /nfs/dbraw/zinc/14/55/51/722145551.db2.gz AJVJBSBABBBLGG-LEWJYISDSA-N 1 1 377.492 2.578 20 30 GFEDMO N#Cc1cc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ncc1Br ZINC000603407183 532694084 /nfs/dbraw/zinc/69/40/84/532694084.db2.gz BEWUFJCDKZYQCJ-MRXNPFEDSA-N 1 1 387.281 2.894 20 30 GFEDMO CC(C)OC(=O)CC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120991665 551224908 /nfs/dbraw/zinc/22/49/08/551224908.db2.gz CUSZKSPCGRDCLZ-KRWDZBQOSA-N 1 1 394.313 2.973 20 30 GFEDMO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000121678268 551239859 /nfs/dbraw/zinc/23/98/59/551239859.db2.gz RYWMYIPGWNLJAT-DYVFJYSZSA-N 1 1 379.913 2.849 20 30 GFEDMO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000121678125 551239874 /nfs/dbraw/zinc/23/98/74/551239874.db2.gz RYWMYIPGWNLJAT-CXAGYDPISA-N 1 1 379.913 2.849 20 30 GFEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000157733152 551542230 /nfs/dbraw/zinc/54/22/30/551542230.db2.gz HBAIJTHSEIFJRM-ZDUSSCGKSA-N 1 1 390.285 2.938 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000184331777 552332918 /nfs/dbraw/zinc/33/29/18/552332918.db2.gz HWQAUUAAWOWMJY-CQSZACIVSA-N 1 1 375.416 2.531 20 30 GFEDMO C[C@@H](C[S@](C)=O)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000185119496 552354455 /nfs/dbraw/zinc/35/44/55/552354455.db2.gz UBQCBJCACAXHBE-CANCMXDXSA-N 1 1 381.567 2.916 20 30 GFEDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@H]1c1ccccc1 ZINC000248557911 553131089 /nfs/dbraw/zinc/13/10/89/553131089.db2.gz LXXYGRUEYVGTFN-SJLPKXTDSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@H]1c1ccccc1 ZINC000248557911 553131091 /nfs/dbraw/zinc/13/10/91/553131091.db2.gz LXXYGRUEYVGTFN-SJLPKXTDSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(F)c(C#N)c2)[C@H]1c1cccs1 ZINC000369540950 563215998 /nfs/dbraw/zinc/21/59/98/563215998.db2.gz QYISFIWLUZNGFA-SJCJKPOMSA-N 1 1 379.482 2.730 20 30 GFEDMO C#CCn1ccc(C[N@H+](CC)C[C@H](O)c2ccc(F)c(Br)c2)n1 ZINC000279677837 563305597 /nfs/dbraw/zinc/30/55/97/563305597.db2.gz GFOUZQNEOUNWOI-KRWDZBQOSA-N 1 1 380.261 2.973 20 30 GFEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H](O)c2ccc(F)c(Br)c2)n1 ZINC000279677837 563305601 /nfs/dbraw/zinc/30/56/01/563305601.db2.gz GFOUZQNEOUNWOI-KRWDZBQOSA-N 1 1 380.261 2.973 20 30 GFEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000374011703 563358528 /nfs/dbraw/zinc/35/85/28/563358528.db2.gz ZXBQKVQYTUOIDP-UHFFFAOYSA-N 1 1 388.269 2.793 20 30 GFEDMO C[C@@H](C(=O)NC1CCC(C(=O)N2CCSCC2)CC1)[NH+]1CCSCC1 ZINC000328995064 563469654 /nfs/dbraw/zinc/46/96/54/563469654.db2.gz UHAOATSSJTZMKL-FHERZECASA-N 1 1 385.599 2.514 20 30 GFEDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000329011397 563469723 /nfs/dbraw/zinc/46/97/23/563469723.db2.gz DSAYWBVGIKLZNK-HUUCEWRRSA-N 1 1 395.301 2.771 20 30 GFEDMO C[C@H](C(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[NH+]1CCSCC1 ZINC000330339756 563502244 /nfs/dbraw/zinc/50/22/44/563502244.db2.gz XBUGWXJQGFJYLA-NEPJUHHUSA-N 1 1 376.448 2.858 20 30 GFEDMO N#Cc1ccsc1NC(=O)C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429023226 563508049 /nfs/dbraw/zinc/50/80/49/563508049.db2.gz UJLMRXTUESNHRU-CYBMUJFWSA-N 1 1 398.257 2.783 20 30 GFEDMO C[C@H]1C[N@@H+](CCCNC(=O)c2cccc(C#N)c2Br)CCCO1 ZINC000331586296 563554227 /nfs/dbraw/zinc/55/42/27/563554227.db2.gz XPWAUTBCJRRCDJ-ZDUSSCGKSA-N 1 1 380.286 2.551 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000367185855 563834434 /nfs/dbraw/zinc/83/44/34/563834434.db2.gz KGCCGIWBWQKQEP-CYBMUJFWSA-N 1 1 381.548 2.872 20 30 GFEDMO CSc1ccc([C@H](CNS(=O)(=O)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000563497631 564193645 /nfs/dbraw/zinc/19/36/45/564193645.db2.gz GREYKDKRNRCSSR-SFHVURJKSA-N 1 1 375.519 2.861 20 30 GFEDMO CC(C)[N@H+]1CCCN(C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449832291 564204808 /nfs/dbraw/zinc/20/48/08/564204808.db2.gz AHPKCBBFFKZQIU-UHFFFAOYSA-N 1 1 380.286 2.642 20 30 GFEDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450026231 564213674 /nfs/dbraw/zinc/21/36/74/564213674.db2.gz VOWJXNJGRYYHNQ-AWEZNQCLSA-N 1 1 380.286 2.642 20 30 GFEDMO N#CCNC(=O)C[N@@H+](Cc1cccc(Br)c1)CC1(O)CCCCC1 ZINC000472159372 564214829 /nfs/dbraw/zinc/21/48/29/564214829.db2.gz OTWLMWALCOAUCP-UHFFFAOYSA-N 1 1 394.313 2.586 20 30 GFEDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](CCOCC(F)(F)C(F)F)C1 ZINC000510905458 564349695 /nfs/dbraw/zinc/34/96/95/564349695.db2.gz QAZFBOXTBQVLKG-JTQLQIEISA-N 1 1 382.320 2.684 20 30 GFEDMO Cc1ccc2c(ncc(C#N)c2N2CC[N@@H+](CCO)[C@H](C)C2)c1Br ZINC000480195853 564463376 /nfs/dbraw/zinc/46/33/76/564463376.db2.gz ITQCSRJXDIFJCJ-CYBMUJFWSA-N 1 1 389.297 2.680 20 30 GFEDMO C[C@@]1(Br)C[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000527745968 564759461 /nfs/dbraw/zinc/75/94/61/564759461.db2.gz QZERMUZPUPXYPG-FUHWJXTLSA-N 1 1 376.298 2.766 20 30 GFEDMO C[C@@]1(Br)C[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000527745968 564759464 /nfs/dbraw/zinc/75/94/64/564759464.db2.gz QZERMUZPUPXYPG-FUHWJXTLSA-N 1 1 376.298 2.766 20 30 GFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCC(=O)Nc1ccccc1Br ZINC000662086052 565349142 /nfs/dbraw/zinc/34/91/42/565349142.db2.gz OUNVFJKDJUWYBW-OKILXGFUSA-N 1 1 392.297 2.687 20 30 GFEDMO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000594792327 565421421 /nfs/dbraw/zinc/42/14/21/565421421.db2.gz PIPWZDKSNIETJN-ZDUSSCGKSA-N 1 1 375.416 2.728 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000594792327 565421426 /nfs/dbraw/zinc/42/14/26/565421426.db2.gz PIPWZDKSNIETJN-ZDUSSCGKSA-N 1 1 375.416 2.728 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000594800228 565423232 /nfs/dbraw/zinc/42/32/32/565423232.db2.gz ZVSWWBZDKUHAAF-GFCCVEGCSA-N 1 1 375.416 2.728 20 30 GFEDMO N#CCCCC[C@@H]([NH3+])C(=O)Nc1nc2ccc(I)cc2[nH]1 ZINC000595260319 565460429 /nfs/dbraw/zinc/46/04/29/565460429.db2.gz ZQRJCGKVTCQSHE-SNVBAGLBSA-N 1 1 397.220 2.517 20 30 GFEDMO N#Cc1cc(Br)ccc1CC(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597576578 565565187 /nfs/dbraw/zinc/56/51/87/565565187.db2.gz VUNGMAIUKYARSJ-CVEARBPZSA-N 1 1 380.261 2.508 20 30 GFEDMO N#Cc1cc(Br)ccc1CC(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597576579 565565420 /nfs/dbraw/zinc/56/54/20/565565420.db2.gz VUNGMAIUKYARSJ-HOTGVXAUSA-N 1 1 380.261 2.508 20 30 GFEDMO N#CC1(C[C@H](O)C[N@@H+]2CCc3cc(Br)ccc3C2)CCOCC1 ZINC000599385241 565674771 /nfs/dbraw/zinc/67/47/71/565674771.db2.gz AELSCXUNDCZNIH-KRWDZBQOSA-N 1 1 379.298 2.879 20 30 GFEDMO N#CC1(C[C@H](O)C[N@H+]2CCc3cc(Br)ccc3C2)CCOCC1 ZINC000599385241 565674775 /nfs/dbraw/zinc/67/47/75/565674775.db2.gz AELSCXUNDCZNIH-KRWDZBQOSA-N 1 1 379.298 2.879 20 30 GFEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000737711861 598632475 /nfs/dbraw/zinc/63/24/75/598632475.db2.gz MAWLWAMMHFLANT-UHFFFAOYSA-N 1 1 377.427 2.590 20 30 GFEDMO CC1(C)CN(Cc2cccc(C#N)c2)CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC000820601466 606087842 /nfs/dbraw/zinc/08/78/42/606087842.db2.gz MBRGVVXROSTKLT-UHFFFAOYSA-N 1 1 387.491 2.835 20 30 GFEDMO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(C(=O)OC)c(F)c1 ZINC000819745693 606765839 /nfs/dbraw/zinc/76/58/39/606765839.db2.gz PRLJHVYMUHSBIC-UHFFFAOYSA-N 1 1 381.411 2.981 20 30 GFEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(C(=O)OC)c(F)c1 ZINC000819745693 606765840 /nfs/dbraw/zinc/76/58/40/606765840.db2.gz PRLJHVYMUHSBIC-UHFFFAOYSA-N 1 1 381.411 2.981 20 30 GFEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)s1 ZINC000819404542 660258344 /nfs/dbraw/zinc/25/83/44/660258344.db2.gz LHANUDXQCSEPIC-DGCLKSJQSA-N 1 1 389.974 2.674 20 30 GFEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)s1 ZINC000819404542 660258347 /nfs/dbraw/zinc/25/83/47/660258347.db2.gz LHANUDXQCSEPIC-DGCLKSJQSA-N 1 1 389.974 2.674 20 30 GFEDMO COC(=O)C1(C#N)CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000831690761 660720162 /nfs/dbraw/zinc/72/01/62/660720162.db2.gz CNPVBLOLMIYYHA-UHFFFAOYSA-N 1 1 394.269 2.556 20 30 GFEDMO N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000055217065 654771651 /nfs/dbraw/zinc/77/16/51/654771651.db2.gz VIFGBZDBZABXTN-INIZCTEOSA-N 1 1 375.881 2.764 20 30 GFEDMO N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000055217065 654771652 /nfs/dbraw/zinc/77/16/52/654771652.db2.gz VIFGBZDBZABXTN-INIZCTEOSA-N 1 1 375.881 2.764 20 30 GFEDMO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000055592997 654779229 /nfs/dbraw/zinc/77/92/29/654779229.db2.gz CLRFDZZOLJSOFU-LBPRGKRZSA-N 1 1 375.416 2.587 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2sc(C)cc2Br)CC1 ZINC000266188573 654861535 /nfs/dbraw/zinc/86/15/35/654861535.db2.gz QITPFPNHBYOIJM-UHFFFAOYSA-N 1 1 379.345 2.748 20 30 GFEDMO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[N@@H+](CC)C2CC2)nc1C ZINC000135942356 655025453 /nfs/dbraw/zinc/02/54/53/655025453.db2.gz QLHVFDFEDLQHMG-UHFFFAOYSA-N 1 1 378.527 2.608 20 30 GFEDMO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[N@H+](CC)C2CC2)nc1C ZINC000135942356 655025461 /nfs/dbraw/zinc/02/54/61/655025461.db2.gz QLHVFDFEDLQHMG-UHFFFAOYSA-N 1 1 378.527 2.608 20 30 GFEDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000173322606 655168115 /nfs/dbraw/zinc/16/81/15/655168115.db2.gz OPIIFMSNSLOANP-MAUKXSAKSA-N 1 1 375.519 2.981 20 30 GFEDMO C#CCNC(=O)C1CC[NH+](CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000735490909 655647970 /nfs/dbraw/zinc/64/79/70/655647970.db2.gz VCNPTOVXUNBBME-DEOSSOPVSA-N 1 1 387.332 2.562 20 30 GFEDMO C[NH+]1CCN(c2ncc(C=[NH+][N-]c3ccc(F)cc3Br)cn2)CC1 ZINC000755629576 655886520 /nfs/dbraw/zinc/88/65/20/655886520.db2.gz XRVVKNBXOPGFRC-UHFFFAOYSA-N 1 1 393.264 2.576 20 30 GFEDMO CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=NNC(=S)NCCSC)c1C ZINC000769603002 656282011 /nfs/dbraw/zinc/28/20/11/656282011.db2.gz UGXGOERNCUZVOX-KRWDZBQOSA-N 1 1 381.615 2.750 20 30 GFEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@H](O)c3cccc(Br)c3)C2)nc1 ZINC000794834363 658619550 /nfs/dbraw/zinc/61/95/50/658619550.db2.gz UTFLMMRLUNPAHH-SJORKVTESA-N 1 1 388.265 2.902 20 30 GFEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)nc1 ZINC000794834363 658619566 /nfs/dbraw/zinc/61/95/66/658619566.db2.gz UTFLMMRLUNPAHH-SJORKVTESA-N 1 1 388.265 2.902 20 30 GFEDMO C#CC[N@H+](CCC(=O)N(C)OC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000799123437 659166815 /nfs/dbraw/zinc/16/68/15/659166815.db2.gz YMKBYSXODVBHBS-OAHLLOKOSA-N 1 1 381.270 2.618 20 30 GFEDMO CCCCCCCS(=O)(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000799766648 659223133 /nfs/dbraw/zinc/22/31/33/659223133.db2.gz PUJPQTRLICBTFV-QGZVFWFLSA-N 1 1 387.615 2.926 20 30 GFEDMO N#Cc1ccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)nc1 ZINC000810153690 659965007 /nfs/dbraw/zinc/96/50/07/659965007.db2.gz BMXPIFFSAVLCIN-UHFFFAOYSA-N 1 1 394.172 2.756 20 30 GFEDMO COc1cc(Br)cc(C(C)=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c1O ZINC000848406313 661646262 /nfs/dbraw/zinc/64/62/62/661646262.db2.gz BOKQYHFQBMFWBN-BETUJISGSA-N 1 1 381.274 2.747 20 30 GFEDMO C#C[C@@H]1CCC[N@H+](Cn2ncc3c2ccc(Br)c3C(=O)OC)C1 ZINC000848495065 661655885 /nfs/dbraw/zinc/65/58/85/661655885.db2.gz YJKNSTBVMYQRKL-GFCCVEGCSA-N 1 1 376.254 2.888 20 30 GFEDMO CN(C)c1[nH+]cc(/C=C2\Cc3ccc(I)cc3C2=O)n1C ZINC000853009132 661878491 /nfs/dbraw/zinc/87/84/91/661878491.db2.gz FAOOSVLNIABJTM-YRNVUSSQSA-N 1 1 393.228 2.913 20 30 GFEDMO N#CCc1ccsc1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000864996197 662394212 /nfs/dbraw/zinc/39/42/12/662394212.db2.gz CRFOZKNQVYLNQK-UHFFFAOYSA-N 1 1 375.416 2.541 20 30 GFEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2c(I)cnn2C)cc1 ZINC000865868619 662448614 /nfs/dbraw/zinc/44/86/14/662448614.db2.gz RZWWQPBONICMLV-NSHDSACASA-N 1 1 396.232 2.605 20 30 GFEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)cc1 ZINC000878876183 662907991 /nfs/dbraw/zinc/90/79/91/662907991.db2.gz TXVZBTQLPYBXPX-WMZOPIPTSA-N 1 1 388.265 2.902 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H](N2C(=O)[C@H](c3ccc(Br)s3)N(C)C2=O)C1 ZINC000925325973 664670486 /nfs/dbraw/zinc/67/04/86/664670486.db2.gz OVGYNDICGRCYMW-RISCZKNCSA-N 1 1 396.310 2.543 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H](N2C(=O)[C@H](c3ccc(Br)s3)N(C)C2=O)C1 ZINC000925325973 664670488 /nfs/dbraw/zinc/67/04/88/664670488.db2.gz OVGYNDICGRCYMW-RISCZKNCSA-N 1 1 396.310 2.543 20 30 GFEDMO C#CCC1(O)CC[NH+](Cc2cc(OC)c(C(=O)OC)cc2Br)CC1 ZINC000931701112 664803160 /nfs/dbraw/zinc/80/31/60/664803160.db2.gz WTXXMABSOXGPDK-UHFFFAOYSA-N 1 1 396.281 2.595 20 30 GFEDMO O[C@@]1(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCCOC1 ZINC000932945305 664844070 /nfs/dbraw/zinc/84/40/70/664844070.db2.gz VIFKUDTXTGVJEJ-KXUCPTDWSA-N 1 1 383.279 2.631 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(Br)ccc1Br ZINC000380930193 677405883 /nfs/dbraw/zinc/40/58/83/677405883.db2.gz NXVWNDAJPZRIAS-UHFFFAOYSA-N 1 1 388.103 2.897 20 30 GFEDMO COc1ccnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1C#N ZINC001164696151 719890575 /nfs/dbraw/zinc/89/05/75/719890575.db2.gz ZTGNDWRLIWLJLI-UHFFFAOYSA-N 1 1 384.505 2.895 20 30 GFEDMO N#Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164751165 720813113 /nfs/dbraw/zinc/81/31/13/720813113.db2.gz XEPMGONRCOHDHR-ZIFCJYIRSA-N 1 1 397.914 2.578 20 30 GFEDMO N#Cc1cc(F)c(Cl)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866073 721045512 /nfs/dbraw/zinc/04/55/12/721045512.db2.gz CIKPXMWRIDRWOS-CVEARBPZSA-N 1 1 387.846 2.620 20 30 GFEDMO Cc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ncc1C#N ZINC001164962215 722054753 /nfs/dbraw/zinc/05/47/53/722054753.db2.gz BLYWBYNTQZVOKK-UHFFFAOYSA-N 1 1 377.492 2.776 20 30 GFEDMO C[N@H+](CC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H]1CCSC1 ZINC000541141596 532748865 /nfs/dbraw/zinc/74/88/65/532748865.db2.gz AQQACKPHDKQVHY-ZDUSSCGKSA-N 1 1 375.885 2.773 20 30 GFEDMO C[N@@H+](CC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H]1CCSC1 ZINC000541141596 532748871 /nfs/dbraw/zinc/74/88/71/532748871.db2.gz AQQACKPHDKQVHY-ZDUSSCGKSA-N 1 1 375.885 2.773 20 30 GFEDMO C#CCC[NH+]1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000127345679 551340459 /nfs/dbraw/zinc/34/04/59/551340459.db2.gz JXFDHQPEZMLITQ-UHFFFAOYSA-N 1 1 375.270 2.640 20 30 GFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCOc1cccc(Br)c1 ZINC000153268392 551449736 /nfs/dbraw/zinc/44/97/36/551449736.db2.gz XVHVTOMGNOTQDG-UHFFFAOYSA-N 1 1 378.274 2.569 20 30 GFEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000155135134 551492277 /nfs/dbraw/zinc/49/22/77/551492277.db2.gz ZBKGNFFOGWWJAU-CYBMUJFWSA-N 1 1 387.933 2.815 20 30 GFEDMO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000156162175 551515974 /nfs/dbraw/zinc/51/59/74/551515974.db2.gz AWGIBCCOBKSQEH-OAHLLOKOSA-N 1 1 379.482 2.874 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000171537385 551657584 /nfs/dbraw/zinc/65/75/84/551657584.db2.gz JXFLRPUTLVVIAN-UHFFFAOYSA-N 1 1 380.844 2.870 20 30 GFEDMO CC[C@@H](CSC)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000179664725 552199513 /nfs/dbraw/zinc/19/95/13/552199513.db2.gz WGWDQMKRAXXGLL-HOTGVXAUSA-N 1 1 380.583 2.530 20 30 GFEDMO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000181185470 552249037 /nfs/dbraw/zinc/24/90/37/552249037.db2.gz WRALVIKMOLQROC-KRWDZBQOSA-N 1 1 389.297 3.000 20 30 GFEDMO CCOc1cc(C[NH2+]C[C@@H](C)C#N)cc(Br)c1OCC(=O)N(C)C ZINC000183817917 552319730 /nfs/dbraw/zinc/31/97/30/552319730.db2.gz LSIXGPJCVOEGBK-LBPRGKRZSA-N 1 1 398.301 2.564 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000420673797 563271991 /nfs/dbraw/zinc/27/19/91/563271991.db2.gz GYZPQOKQCPWYKO-UHFFFAOYSA-N 1 1 380.844 2.870 20 30 GFEDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000281205802 563369759 /nfs/dbraw/zinc/36/97/59/563369759.db2.gz PUHQOLWWLAUAOY-ZDUSSCGKSA-N 1 1 375.416 2.682 20 30 GFEDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000424989181 563400103 /nfs/dbraw/zinc/40/01/03/563400103.db2.gz HSVOOBANURSSDG-UHFFFAOYSA-N 1 1 380.286 2.504 20 30 GFEDMO O=C(NCC[N@@H+]1CCc2sccc2C1)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000329166959 563473815 /nfs/dbraw/zinc/47/38/15/563473815.db2.gz IEJDZOVSMLEAPO-HNNXBMFYSA-N 1 1 379.551 2.764 20 30 GFEDMO O=C(NCC[N@H+]1CCc2sccc2C1)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000329166959 563473819 /nfs/dbraw/zinc/47/38/19/563473819.db2.gz IEJDZOVSMLEAPO-HNNXBMFYSA-N 1 1 379.551 2.764 20 30 GFEDMO C[N@@H+](CC(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[C@@H]1CCSC1 ZINC000330317308 563501308 /nfs/dbraw/zinc/50/13/08/563501308.db2.gz BNACVSHGXAVPLL-NWDGAFQWSA-N 1 1 376.448 2.858 20 30 GFEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)COc1cccc(Br)c1C#N ZINC000449855218 564206024 /nfs/dbraw/zinc/20/60/24/564206024.db2.gz KTKCNJCCAHLGBI-CYBMUJFWSA-N 1 1 380.286 2.690 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCNC2=O)cc1OCC ZINC000539895226 564231663 /nfs/dbraw/zinc/23/16/63/564231663.db2.gz UGDYQUYNZUWAMZ-CQSZACIVSA-N 1 1 383.286 2.733 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CCNC2=O)cc1OCC ZINC000539895226 564231665 /nfs/dbraw/zinc/23/16/65/564231665.db2.gz UGDYQUYNZUWAMZ-CQSZACIVSA-N 1 1 383.286 2.733 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000451172018 564282587 /nfs/dbraw/zinc/28/25/87/564282587.db2.gz PYPAADLFGSVQCX-UHFFFAOYSA-N 1 1 391.306 2.658 20 30 GFEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cccc(C#N)c1Br ZINC000451242959 564291146 /nfs/dbraw/zinc/29/11/46/564291146.db2.gz KEXRYURUZAFLDG-ZDUSSCGKSA-N 1 1 392.297 2.646 20 30 GFEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451266949 564293096 /nfs/dbraw/zinc/29/30/96/564293096.db2.gz PTTWMDOXUXUYMP-HNNXBMFYSA-N 1 1 378.885 2.764 20 30 GFEDMO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459462699 564746309 /nfs/dbraw/zinc/74/63/09/564746309.db2.gz LNNOLCIIHFVTTF-CJNGLKHVSA-N 1 1 380.286 2.568 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000459663781 564755972 /nfs/dbraw/zinc/75/59/72/564755972.db2.gz YPTPHIPMWYVOQM-CYBMUJFWSA-N 1 1 398.301 2.544 20 30 GFEDMO N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528547811 564793260 /nfs/dbraw/zinc/79/32/60/564793260.db2.gz IYCINWRLJMRBRS-OAHLLOKOSA-N 1 1 398.326 2.616 20 30 GFEDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000583052669 564873852 /nfs/dbraw/zinc/87/38/52/564873852.db2.gz MQBIBWMTMGQURQ-GFCCVEGCSA-N 1 1 377.432 2.976 20 30 GFEDMO C=CCN1CC[C@H]([NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)C1=O ZINC000499601833 564932047 /nfs/dbraw/zinc/93/20/47/564932047.db2.gz FTQDRRIJEVLZBJ-RISCZKNCSA-N 1 1 381.270 2.658 20 30 GFEDMO C=CC[N@@H+](CCOC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562904942 565047079 /nfs/dbraw/zinc/04/70/79/565047079.db2.gz GFVNEEGQIITMDC-UHFFFAOYSA-N 1 1 376.194 2.834 20 30 GFEDMO C=CC[N@H+](CCOC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562904942 565047081 /nfs/dbraw/zinc/04/70/81/565047081.db2.gz GFVNEEGQIITMDC-UHFFFAOYSA-N 1 1 376.194 2.834 20 30 GFEDMO CCN(CCC#N)C(=O)C[NH2+]C1(c2cc(Br)ccc2OC)CC1 ZINC000592137595 565260431 /nfs/dbraw/zinc/26/04/31/565260431.db2.gz JMACYLINVYYIKP-UHFFFAOYSA-N 1 1 380.286 2.799 20 30 GFEDMO C[N@H+]1CCC[C@@H]1CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000593018788 565307072 /nfs/dbraw/zinc/30/70/72/565307072.db2.gz BDTRTEHQXJYKLY-QZTJIDSGSA-N 1 1 377.330 2.726 20 30 GFEDMO N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000593656297 565353735 /nfs/dbraw/zinc/35/37/35/565353735.db2.gz KELBIMQRQUEPHM-KRWDZBQOSA-N 1 1 376.298 2.996 20 30 GFEDMO Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000593668027 565354693 /nfs/dbraw/zinc/35/46/93/565354693.db2.gz CGVHHCZIMWZBNA-UHFFFAOYSA-N 1 1 375.519 2.871 20 30 GFEDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000597605127 565567791 /nfs/dbraw/zinc/56/77/91/565567791.db2.gz MXFSXOPVMZPVNV-AWEZNQCLSA-N 1 1 380.286 2.642 20 30 GFEDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@@H](C)C1 ZINC000601440384 565784246 /nfs/dbraw/zinc/78/42/46/565784246.db2.gz QLOIQGXXFCBKCN-LBPRGKRZSA-N 1 1 375.416 2.682 20 30 GFEDMO N#Cc1cc(NCc2cccc(C[NH+]3CCOCC3)c2)ncc1Br ZINC000603280987 565893129 /nfs/dbraw/zinc/89/31/29/565893129.db2.gz ZUTNIVRMULBMED-UHFFFAOYSA-N 1 1 387.281 2.582 20 30 GFEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000611094737 566114061 /nfs/dbraw/zinc/11/40/61/566114061.db2.gz VOCMUGANEVJDBR-ZDUSSCGKSA-N 1 1 383.323 2.868 20 30 GFEDMO N#Cc1cc(F)ccc1CN1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737704951 598678929 /nfs/dbraw/zinc/67/89/29/598678929.db2.gz LWAZIUCQESQIJV-UHFFFAOYSA-N 1 1 391.454 2.585 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cnn(-c2cccc(Br)c2)c1C ZINC000818596050 660229427 /nfs/dbraw/zinc/22/94/27/660229427.db2.gz ZVSIHTXDAOFJML-UHFFFAOYSA-N 1 1 389.297 2.628 20 30 GFEDMO Cc1nc(N2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)sc1C ZINC000128840902 654852622 /nfs/dbraw/zinc/85/26/22/654852622.db2.gz KKWWCZBHJLNYCM-UHFFFAOYSA-N 1 1 375.523 2.844 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000064599497 654872632 /nfs/dbraw/zinc/87/26/32/654872632.db2.gz HZCKVEAWQNDDSB-MRXNPFEDSA-N 1 1 375.519 2.810 20 30 GFEDMO C#CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000093004943 655016476 /nfs/dbraw/zinc/01/64/76/655016476.db2.gz ONAAWVCZCKRTSO-UHFFFAOYSA-N 1 1 388.265 2.927 20 30 GFEDMO C#CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000093004943 655016477 /nfs/dbraw/zinc/01/64/77/655016477.db2.gz ONAAWVCZCKRTSO-UHFFFAOYSA-N 1 1 388.265 2.927 20 30 GFEDMO N#Cc1ccc([C@H](O)C[N@@H+](CCO)Cc2cc(Br)ccc2F)cc1 ZINC000156087932 655089297 /nfs/dbraw/zinc/08/92/97/655089297.db2.gz NLNMCIAJLGEGNY-GOSISDBHSA-N 1 1 393.256 2.988 20 30 GFEDMO N#Cc1ccc([C@H](O)C[N@H+](CCO)Cc2cc(Br)ccc2F)cc1 ZINC000156087932 655089300 /nfs/dbraw/zinc/08/93/00/655089300.db2.gz NLNMCIAJLGEGNY-GOSISDBHSA-N 1 1 393.256 2.988 20 30 GFEDMO Cc1cc(NC(=O)[C@@H](C)O[NH+]=C(N)C2CCOCC2)ccc1Br ZINC000112087418 655182087 /nfs/dbraw/zinc/18/20/87/655182087.db2.gz SCPFGQVWUJEDCZ-LLVKDONJSA-N 1 1 384.274 2.800 20 30 GFEDMO NC(=[NH+]OCc1nc(-c2ccc(Br)s2)no1)C1CCOCC1 ZINC000114451982 655224083 /nfs/dbraw/zinc/22/40/83/655224083.db2.gz OBWKTRCNWXGKFF-UHFFFAOYSA-N 1 1 387.259 2.776 20 30 GFEDMO CCCOc1c(Br)cc(C=NNC2=[NH+]C[C@@H](C)N2)cc1OCC ZINC000779798248 656943136 /nfs/dbraw/zinc/94/31/36/656943136.db2.gz NUEJRUAYMZVDLB-LLVKDONJSA-N 1 1 383.290 2.908 20 30 GFEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)nc1 ZINC000788969039 657803934 /nfs/dbraw/zinc/80/39/34/657803934.db2.gz ZUGIUNIUFDUYOM-UHFFFAOYSA-N 1 1 387.281 2.842 20 30 GFEDMO N#Cc1ccc([C@@H](O)C[N@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000792483490 658288617 /nfs/dbraw/zinc/28/86/17/658288617.db2.gz ADPDNGIHPNOUFA-HNNXBMFYSA-N 1 1 381.295 2.910 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C ZINC000802076307 659442576 /nfs/dbraw/zinc/44/25/76/659442576.db2.gz YNTLJLXRRXVWJP-CZUORRHYSA-N 1 1 382.913 2.797 20 30 GFEDMO C#C[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000848492813 661656043 /nfs/dbraw/zinc/65/60/43/661656043.db2.gz GRBCWXFOTAJIFA-SCLBCKFNSA-N 1 1 390.281 2.519 20 30 GFEDMO C#C[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000848492813 661656048 /nfs/dbraw/zinc/65/60/48/661656048.db2.gz GRBCWXFOTAJIFA-SCLBCKFNSA-N 1 1 390.281 2.519 20 30 GFEDMO CC(Cc1ncc(C(F)(F)F)cc1Cl)=NNCCC[NH+]1CCOCC1 ZINC000863111030 662312106 /nfs/dbraw/zinc/31/21/06/662312106.db2.gz LWFJRQHOAKIVHQ-UHFFFAOYSA-N 1 1 378.826 2.984 20 30 GFEDMO C[C@@H]([NH2+]Cc1c(I)cnn1C)c1ccc(OCC#N)cc1 ZINC000866630511 662485335 /nfs/dbraw/zinc/48/53/35/662485335.db2.gz RFLFCBZEBVJZAY-LLVKDONJSA-N 1 1 396.232 2.778 20 30 GFEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000872793823 662789006 /nfs/dbraw/zinc/78/90/06/662789006.db2.gz CZZASRHSCAJRGQ-LSDHHAIUSA-N 1 1 377.535 2.638 20 30 GFEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000872793823 662789007 /nfs/dbraw/zinc/78/90/07/662789007.db2.gz CZZASRHSCAJRGQ-LSDHHAIUSA-N 1 1 377.535 2.638 20 30 GFEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883093057 663048657 /nfs/dbraw/zinc/04/86/57/663048657.db2.gz IKMUDWWDBAPBPD-LBPRGKRZSA-N 1 1 380.290 2.911 20 30 GFEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883093833 663048820 /nfs/dbraw/zinc/04/88/20/663048820.db2.gz IHBFHOMRVJAXBV-ZDUSSCGKSA-N 1 1 392.301 2.911 20 30 GFEDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Br)c(C#N)n3)CC[C@@H]21 ZINC000883097425 663048975 /nfs/dbraw/zinc/04/89/75/663048975.db2.gz KCDZXGHTTIMMPQ-FZMZJTMJSA-N 1 1 378.274 2.664 20 30 GFEDMO C=CCC1(O)CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000886778597 663118181 /nfs/dbraw/zinc/11/81/81/663118181.db2.gz JDBAQZXMBSTZJY-MRXNPFEDSA-N 1 1 379.298 2.957 20 30 GFEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907395707 664031100 /nfs/dbraw/zinc/03/11/00/664031100.db2.gz AQZKHONDWJPRBN-KGLIPLIRSA-N 1 1 398.326 2.568 20 30 GFEDMO C[C@@H](CCNS(=O)(=O)Cc1csc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000914214417 664386636 /nfs/dbraw/zinc/38/66/36/664386636.db2.gz ZRMFOQQSQJSICY-HNNXBMFYSA-N 1 1 377.535 2.950 20 30 GFEDMO C=CC[N@H+](CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O)C(C)C ZINC000917481228 664484689 /nfs/dbraw/zinc/48/46/89/664484689.db2.gz DQMOXKWBENVSNK-UHFFFAOYSA-N 1 1 380.242 2.598 20 30 GFEDMO C=CC[N@@H+](CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O)C(C)C ZINC000917481228 664484690 /nfs/dbraw/zinc/48/46/90/664484690.db2.gz DQMOXKWBENVSNK-UHFFFAOYSA-N 1 1 380.242 2.598 20 30 GFEDMO CON(C)C(=O)[C@H](CCSC)[NH2+]Cc1cc(C#N)ccc1Br ZINC000921863767 664573899 /nfs/dbraw/zinc/57/38/99/664573899.db2.gz PXCRYBQEMPQCGN-AWEZNQCLSA-N 1 1 386.315 2.552 20 30 GFEDMO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000921916046 664576121 /nfs/dbraw/zinc/57/61/21/664576121.db2.gz ALSIBOBDZKVQBB-CYBMUJFWSA-N 1 1 390.203 2.964 20 30 GFEDMO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C(=O)CC)ccc1Cl ZINC000922022855 664581653 /nfs/dbraw/zinc/58/16/53/664581653.db2.gz PUMNGEOUMRYXDF-UHFFFAOYSA-N 1 1 382.913 2.651 20 30 GFEDMO CC(C)(C)n1cc(C[NH2+]Cc2cc(C#N)ccc2Br)c(=O)[nH]c1=O ZINC000922498369 664604389 /nfs/dbraw/zinc/60/43/89/664604389.db2.gz UBZLBTVGMVDCQL-UHFFFAOYSA-N 1 1 391.269 2.628 20 30 GFEDMO N#Cc1ccsc1NC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000931846940 664805844 /nfs/dbraw/zinc/80/58/44/664805844.db2.gz ZXHGTEHNGJFUBF-UHFFFAOYSA-N 1 1 376.404 2.738 20 30 GFEDMO CC[N@H+]1CCCN(C(=O)Nc2ccc(C#N)cc2I)CC1 ZINC000932557006 664828641 /nfs/dbraw/zinc/82/86/41/664828641.db2.gz ZBAFEXVCUCGMRW-UHFFFAOYSA-N 1 1 398.248 2.722 20 30 GFEDMO CCOCC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941158 664843499 /nfs/dbraw/zinc/84/34/99/664843499.db2.gz ATLSQSVTMMLTIL-BBBLOLIVSA-N 1 1 385.295 2.877 20 30 GFEDMO CC(C)(O)C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945401 664844281 /nfs/dbraw/zinc/84/42/81/664844281.db2.gz WOIQJLBQHOXHJX-XHNCKOQMSA-N 1 1 385.295 2.611 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(Cl)ccc1I ZINC000380838637 677406054 /nfs/dbraw/zinc/40/60/54/677406054.db2.gz NHFKEIMBQHWGMO-UHFFFAOYSA-N 1 1 390.652 2.630 20 30 GFEDMO Cc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C#N ZINC001164842116 720548398 /nfs/dbraw/zinc/54/83/98/720548398.db2.gz WQRUDRWOLNGZIV-JFIYKMOQSA-N 1 1 399.930 2.884 20 30 GFEDMO CC(C)c1ccc(C#N)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164869489 721055040 /nfs/dbraw/zinc/05/50/40/721055040.db2.gz SZTAODCFQQSGFQ-UXHICEINSA-N 1 1 377.492 2.951 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)cc(Cl)c4C#N)C[C@H]3C2)cn1 ZINC001164765483 721237224 /nfs/dbraw/zinc/23/72/24/721237224.db2.gz RLPMVAQDZAEZSH-ZIAGYGMSSA-N 1 1 391.306 2.952 20 30 GFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C#N)cc3F)C2)C1 ZINC001164782971 721360353 /nfs/dbraw/zinc/36/03/53/721360353.db2.gz OKYZQPOBFSWYPM-NRFANRHFSA-N 1 1 399.470 2.816 20 30 GFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C#N)cc3F)C2)C1 ZINC001164782971 721360357 /nfs/dbraw/zinc/36/03/57/721360357.db2.gz OKYZQPOBFSWYPM-NRFANRHFSA-N 1 1 399.470 2.816 20 30 GFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(CC#N)ccn1)CC2 ZINC001164784377 721463354 /nfs/dbraw/zinc/46/33/54/721463354.db2.gz HQXIRLGZVBDBFF-OAQYLSRUSA-N 1 1 398.551 2.882 20 30 GFEDMO N#Cc1ccc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164899026 721519413 /nfs/dbraw/zinc/51/94/13/721519413.db2.gz JQASWXJVWLORKF-MJGOQNOKSA-N 1 1 389.434 2.982 20 30 GFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164799923 721530691 /nfs/dbraw/zinc/53/06/91/721530691.db2.gz CCRZNMDWNGAKFN-QRVBRYPASA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164799923 721530693 /nfs/dbraw/zinc/53/06/93/721530693.db2.gz CCRZNMDWNGAKFN-QRVBRYPASA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164799922 721530964 /nfs/dbraw/zinc/53/09/64/721530964.db2.gz CCRZNMDWNGAKFN-OTWHNJEPSA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164799922 721530972 /nfs/dbraw/zinc/53/09/72/721530972.db2.gz CCRZNMDWNGAKFN-OTWHNJEPSA-N 1 1 383.883 2.870 20 30 GFEDMO C=CCOc1cc(C)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164806676 721556849 /nfs/dbraw/zinc/55/68/49/721556849.db2.gz QQOAFVMSDYGXIL-ZJOUEHCJSA-N 1 1 395.507 2.613 20 30 GFEDMO C=CCOc1cc(C)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164806676 721556854 /nfs/dbraw/zinc/55/68/54/721556854.db2.gz QQOAFVMSDYGXIL-ZJOUEHCJSA-N 1 1 395.507 2.613 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2[nH]ccc3ncc(C#N)c2-3)[C@@H]2CCCO[C@H]12 ZINC001164806328 721572491 /nfs/dbraw/zinc/57/24/91/721572491.db2.gz PVKHWBCEFOOYAG-SBHAEUEKSA-N 1 1 388.475 2.698 20 30 GFEDMO CSc1nc(Cl)c(C#N)c(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165042349 721952259 /nfs/dbraw/zinc/95/22/59/721952259.db2.gz KTUJHAXHKZZPND-UHFFFAOYSA-N 1 1 389.912 2.925 20 30 GFEDMO Cn1cc[nH+]c1CC1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000180184072 552216572 /nfs/dbraw/zinc/21/65/72/552216572.db2.gz OTQLUCJHGMPWJP-UHFFFAOYSA-N 1 1 378.885 2.589 20 30 GFEDMO C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000183056886 552299105 /nfs/dbraw/zinc/29/91/05/552299105.db2.gz FZUNYKUTSKLMLK-OAHLLOKOSA-N 1 1 375.881 2.893 20 30 GFEDMO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246579088 553110343 /nfs/dbraw/zinc/11/03/43/553110343.db2.gz RYWMYIPGWNLJAT-GUYCJALGSA-N 1 1 379.913 2.849 20 30 GFEDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000301486320 563405480 /nfs/dbraw/zinc/40/54/80/563405480.db2.gz XJXGFXCMDRHEKD-KRWDZBQOSA-N 1 1 377.330 2.927 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000282744108 563422969 /nfs/dbraw/zinc/42/29/69/563422969.db2.gz ULCDBQUOBQSODN-SFHVURJKSA-N 1 1 377.897 2.934 20 30 GFEDMO CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000328860112 563466832 /nfs/dbraw/zinc/46/68/32/563466832.db2.gz AGPWRDDANDDQBU-CQSZACIVSA-N 1 1 385.555 2.712 20 30 GFEDMO CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000328860112 563466837 /nfs/dbraw/zinc/46/68/37/563466837.db2.gz AGPWRDDANDDQBU-CQSZACIVSA-N 1 1 385.555 2.712 20 30 GFEDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000379703509 563514798 /nfs/dbraw/zinc/51/47/98/563514798.db2.gz DYSASHXXSRJHSF-ZBFHGGJFSA-N 1 1 375.519 2.951 20 30 GFEDMO CC[C@@H]1CN(C(=O)Nc2ccc(F)c(Br)c2)CC[N@H+]1C[C@H](C)O ZINC000330639165 563514825 /nfs/dbraw/zinc/51/48/25/563514825.db2.gz DKVHFQYXKZHHOX-WCQYABFASA-N 1 1 388.281 2.911 20 30 GFEDMO CC(C)[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000331032171 563532044 /nfs/dbraw/zinc/53/20/44/563532044.db2.gz HIWQHOUJPXVMHG-AWEZNQCLSA-N 1 1 375.416 2.728 20 30 GFEDMO COC(=O)c1cccc(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1Br ZINC000331160566 563537577 /nfs/dbraw/zinc/53/75/77/563537577.db2.gz RCPAJTCINQDPOQ-QWRGUYRKSA-N 1 1 384.274 2.806 20 30 GFEDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1csc(I)c1 ZINC000331339529 563546389 /nfs/dbraw/zinc/54/63/89/563546389.db2.gz RWSICDVEBYLBFV-LLVKDONJSA-N 1 1 394.278 2.504 20 30 GFEDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410139933 563582825 /nfs/dbraw/zinc/58/28/25/563582825.db2.gz OARXHAVVLLRGEC-ZDUSSCGKSA-N 1 1 375.416 2.730 20 30 GFEDMO [NH3+]CC(F)(F)CNC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000415539598 563783718 /nfs/dbraw/zinc/78/37/18/563783718.db2.gz KEXYXITUEWUBHQ-VIFPVBQESA-N 1 1 377.260 2.785 20 30 GFEDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)COc1cccc(Br)c1C#N ZINC000449881402 564207899 /nfs/dbraw/zinc/20/78/99/564207899.db2.gz DHYCVPLIZWEMKP-ZIAGYGMSSA-N 1 1 392.297 2.785 20 30 GFEDMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@H]1CC ZINC000449918574 564208746 /nfs/dbraw/zinc/20/87/46/564208746.db2.gz ZSWGFRBVHHMQJZ-MRXNPFEDSA-N 1 1 394.313 2.894 20 30 GFEDMO CCOCC[N@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@H]1CC ZINC000449918574 564208750 /nfs/dbraw/zinc/20/87/50/564208750.db2.gz ZSWGFRBVHHMQJZ-MRXNPFEDSA-N 1 1 394.313 2.894 20 30 GFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCCc1ccccc1Br ZINC000541336720 564276243 /nfs/dbraw/zinc/27/62/43/564276243.db2.gz HBRHCFOJIHMPLL-UHFFFAOYSA-N 1 1 376.302 2.954 20 30 GFEDMO N#CC1(CS(=O)(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000474591888 564282356 /nfs/dbraw/zinc/28/23/56/564282356.db2.gz CUFKXOUCVIAENK-UHFFFAOYSA-N 1 1 381.929 2.918 20 30 GFEDMO Cc1nc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)sc1Br ZINC000568078307 564404317 /nfs/dbraw/zinc/40/43/17/564404317.db2.gz MXSVGTFTPDCUIP-CYBMUJFWSA-N 1 1 396.310 2.810 20 30 GFEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1Cl ZINC000553760354 564735194 /nfs/dbraw/zinc/73/51/94/564735194.db2.gz BXELJWZKMAOYEO-UKRRQHHQSA-N 1 1 375.778 2.928 20 30 GFEDMO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000459462691 564746221 /nfs/dbraw/zinc/74/62/21/564746221.db2.gz LNNOLCIIHFVTTF-BBRMVZONSA-N 1 1 380.286 2.568 20 30 GFEDMO N#Cc1c(Br)cccc1OCC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000530023265 564860332 /nfs/dbraw/zinc/86/03/32/564860332.db2.gz SIMMRBNLZQZMFA-CQSZACIVSA-N 1 1 392.297 2.833 20 30 GFEDMO CSc1ccc([C@H](CNS(=O)(=O)c2ccccc2C#N)[NH+](C)C)cc1 ZINC000559197258 564926665 /nfs/dbraw/zinc/92/66/65/564926665.db2.gz JIIKTAZFVGIWRM-KRWDZBQOSA-N 1 1 375.519 2.861 20 30 GFEDMO C=CCOCCC[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000470762964 565055212 /nfs/dbraw/zinc/05/52/12/565055212.db2.gz BEKZLDIWUMCLGM-UHFFFAOYSA-N 1 1 397.313 2.565 20 30 GFEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccsc1C#N ZINC000593554574 565340387 /nfs/dbraw/zinc/34/03/87/565340387.db2.gz YZYJRSYTSJLFMG-MRXNPFEDSA-N 1 1 375.519 2.762 20 30 GFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccsc1C#N ZINC000593562029 565341659 /nfs/dbraw/zinc/34/16/59/565341659.db2.gz QZPDXCQNJCYBKC-ZBFHGGJFSA-N 1 1 375.519 2.809 20 30 GFEDMO Cc1csc(S(=O)(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593665464 565354865 /nfs/dbraw/zinc/35/48/65/565354865.db2.gz FVXNCTRYXVOZPN-UHFFFAOYSA-N 1 1 375.519 2.871 20 30 GFEDMO C=CCCSCCNC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000596092043 565512820 /nfs/dbraw/zinc/51/28/20/565512820.db2.gz IEOAIRYUMPPKOX-MRXNPFEDSA-N 1 1 382.599 2.645 20 30 GFEDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)COc1cccc(Br)c1C#N ZINC000597606226 565567403 /nfs/dbraw/zinc/56/74/03/565567403.db2.gz VKCGOCIJYUHVGF-CYBMUJFWSA-N 1 1 380.286 2.642 20 30 GFEDMO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1nc(-c2cccc(Br)c2)no1 ZINC000598724088 565637479 /nfs/dbraw/zinc/63/74/79/565637479.db2.gz MCANTWQXYVONMS-CYBMUJFWSA-N 1 1 379.258 2.889 20 30 GFEDMO C[N@H+]1CCCC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000599414575 565676907 /nfs/dbraw/zinc/67/69/07/565676907.db2.gz GLINUMPMLZEVIM-GFCCVEGCSA-N 1 1 375.416 2.587 20 30 GFEDMO C[NH+](C)C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000599627797 565693985 /nfs/dbraw/zinc/69/39/85/565693985.db2.gz OLCQRNGVNJZLTJ-WMZOPIPTSA-N 1 1 383.323 2.994 20 30 GFEDMO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000735420250 598269525 /nfs/dbraw/zinc/26/95/25/598269525.db2.gz NPCKMDBHWOBIJY-GOSISDBHSA-N 1 1 397.527 2.685 20 30 GFEDMO COc1cc(C#N)ccc1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826176873 608359101 /nfs/dbraw/zinc/35/91/01/608359101.db2.gz IAPRBZBRFZEPOL-UHFFFAOYSA-N 1 1 390.447 2.790 20 30 GFEDMO N#Cc1ccc(C2=CC[N@@H+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826384828 608462419 /nfs/dbraw/zinc/46/24/19/608462419.db2.gz LEHZFXPNLOOLKU-UHFFFAOYSA-N 1 1 399.458 2.856 20 30 GFEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000823914606 608632625 /nfs/dbraw/zinc/63/26/25/608632625.db2.gz JQNKGIUFRPHPSV-UHFFFAOYSA-N 1 1 386.463 2.944 20 30 GFEDMO CC(Cc1ccc(F)cc1Cl)=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000817324059 660190306 /nfs/dbraw/zinc/19/03/06/660190306.db2.gz OYHPWQSJNBDZRK-UHFFFAOYSA-N 1 1 386.924 2.584 20 30 GFEDMO COC(=O)[C@@H]1C[N@@H+](CCO[C@H](C)C#N)C[C@H]1c1ccc(Br)cc1 ZINC000823491992 660373491 /nfs/dbraw/zinc/37/34/91/660373491.db2.gz FDQXEJWBWPZFHO-UHOFOFEASA-N 1 1 381.270 2.566 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000836385740 660903176 /nfs/dbraw/zinc/90/31/76/660903176.db2.gz JIUAWFRISDVHHD-PBHICJAKSA-N 1 1 396.329 2.779 20 30 GFEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000007018282 654460372 /nfs/dbraw/zinc/46/03/72/654460372.db2.gz WVTGAFBWDFRXGG-KRWDZBQOSA-N 1 1 382.302 2.814 20 30 GFEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000007018282 654460375 /nfs/dbraw/zinc/46/03/75/654460375.db2.gz WVTGAFBWDFRXGG-KRWDZBQOSA-N 1 1 382.302 2.814 20 30 GFEDMO COc1c(Br)cc(Br)cc1C=NN1CC[NH+](C)CC1 ZINC000916248363 664454980 /nfs/dbraw/zinc/45/49/80/664454980.db2.gz AYNUPFSLDMTTGA-UHFFFAOYSA-N 1 1 391.107 2.802 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000838622744 661051090 /nfs/dbraw/zinc/05/10/90/661051090.db2.gz ZKKLFXBQXVUVSS-SJORKVTESA-N 1 1 384.307 2.548 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000838623776 661051180 /nfs/dbraw/zinc/05/11/80/661051180.db2.gz MHTBNIDWKBAPFK-INIZCTEOSA-N 1 1 394.313 2.869 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](C(=O)NC)C2)cc1OC ZINC000093360912 655018649 /nfs/dbraw/zinc/01/86/49/655018649.db2.gz FQFFWDXVFKMDGR-CQSZACIVSA-N 1 1 397.313 2.981 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](C(=O)NC)C2)cc1OC ZINC000093360912 655018651 /nfs/dbraw/zinc/01/86/51/655018651.db2.gz FQFFWDXVFKMDGR-CQSZACIVSA-N 1 1 397.313 2.981 20 30 GFEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000173992637 655188550 /nfs/dbraw/zinc/18/85/50/655188550.db2.gz FCPUCUXRPWGOJN-ZDUSSCGKSA-N 1 1 382.302 2.985 20 30 GFEDMO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)COc3ccc(Br)cc3)CC2)C1 ZINC000293148568 655359519 /nfs/dbraw/zinc/35/95/19/655359519.db2.gz QTGCUEXGRZANEU-GOEBONIOSA-N 1 1 392.297 2.664 20 30 GFEDMO C[NH+]=C(NCCc1ccc(Br)s1)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261957640 655443232 /nfs/dbraw/zinc/44/32/32/655443232.db2.gz JGEMTKFRJGYQCH-BXUZGUMPSA-N 1 1 385.375 2.701 20 30 GFEDMO CC(C)[C@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000726454240 655534607 /nfs/dbraw/zinc/53/46/07/655534607.db2.gz OTZXQXDXLKVEQB-KRWDZBQOSA-N 1 1 379.961 2.770 20 30 GFEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000726480087 655535416 /nfs/dbraw/zinc/53/54/16/655535416.db2.gz FVPWSDXYIKYXBT-AWEZNQCLSA-N 1 1 379.961 2.772 20 30 GFEDMO Fc1cc(Br)cc2c1OCCC2=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753939849 655861123 /nfs/dbraw/zinc/86/11/23/655861123.db2.gz RGNOQUBGIQZOKW-OKILXGFUSA-N 1 1 381.249 2.935 20 30 GFEDMO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]NCc1ccc(Cl)cc1Cl ZINC000755640123 655886825 /nfs/dbraw/zinc/88/68/25/655886825.db2.gz KNRJEKUOFGWFFY-UHFFFAOYSA-N 1 1 382.295 2.996 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000756551102 655901838 /nfs/dbraw/zinc/90/18/38/655901838.db2.gz GOURPNRNRFLXRP-INIZCTEOSA-N 1 1 388.265 2.889 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000756551102 655901840 /nfs/dbraw/zinc/90/18/40/655901840.db2.gz GOURPNRNRFLXRP-INIZCTEOSA-N 1 1 388.265 2.889 20 30 GFEDMO CCC(=NNC(=S)NCCC[NH+]1CCOCC1)c1c(F)cccc1Cl ZINC000767753329 656218831 /nfs/dbraw/zinc/21/88/31/656218831.db2.gz IFRAKTHLZDFVOX-UHFFFAOYSA-N 1 1 386.924 2.780 20 30 GFEDMO C=CCS(=O)(=O)CC[NH2+]Cc1cc(Br)ccc1OCCC ZINC000782968524 657197566 /nfs/dbraw/zinc/19/75/66/657197566.db2.gz XIVDOQIEPAYHMH-UHFFFAOYSA-N 1 1 376.316 2.928 20 30 GFEDMO FC(F)Oc1ccc(C=NNCCC[NH+]2CCOCC2)cc1Br ZINC000799488890 659193741 /nfs/dbraw/zinc/19/37/41/659193741.db2.gz WXIFHZYNUPVXEE-UHFFFAOYSA-N 1 1 392.244 2.696 20 30 GFEDMO C#CCC[NH+]1CCC(NC(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000800500796 659312986 /nfs/dbraw/zinc/31/29/86/659312986.db2.gz GJMVLOUCHOGEIE-UHFFFAOYSA-N 1 1 375.270 2.543 20 30 GFEDMO CC1(C)OC[C@@H](C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)O1 ZINC000851884587 661843063 /nfs/dbraw/zinc/84/30/63/661843063.db2.gz FLUJVOZHHCGLDF-SJORKVTESA-N 1 1 394.313 2.783 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000852359917 661862194 /nfs/dbraw/zinc/86/21/94/661862194.db2.gz PITLAQDWBNDWLL-MRXNPFEDSA-N 1 1 396.354 2.991 20 30 GFEDMO COCO[C@H](C)c1cc(F)c(C=NNC2=[NH+]C[C@@H](C)N2)cc1Br ZINC000863104656 662312132 /nfs/dbraw/zinc/31/21/32/662312132.db2.gz CPPZNTFRJXFFSD-NXEZZACHSA-N 1 1 387.253 2.541 20 30 GFEDMO COC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1cccc(Br)c1 ZINC000879661954 662934828 /nfs/dbraw/zinc/93/48/28/662934828.db2.gz MWHIGDNMYBCDJG-RDJZCZTQSA-N 1 1 382.302 2.781 20 30 GFEDMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Br)c(C#N)n1)c1ccco1 ZINC000883075520 663047912 /nfs/dbraw/zinc/04/79/12/663047912.db2.gz DGXVHKLEWCEPEH-LBPRGKRZSA-N 1 1 378.230 2.733 20 30 GFEDMO C[N@@H+]1CC[C@H](NC(=O)NCc2nc(C#N)cs2)[C@H]1c1ccc(Cl)cc1 ZINC000893893665 663430521 /nfs/dbraw/zinc/43/05/21/663430521.db2.gz COMIGBJCKWJROB-GOEBONIOSA-N 1 1 375.885 2.913 20 30 GFEDMO C[N@H+]1CC[C@H](NC(=O)NCc2nc(C#N)cs2)[C@H]1c1ccc(Cl)cc1 ZINC000893893665 663430523 /nfs/dbraw/zinc/43/05/23/663430523.db2.gz COMIGBJCKWJROB-GOEBONIOSA-N 1 1 375.885 2.913 20 30 GFEDMO N#Cc1ccc(C[NH+]2CCC(NCc3cnc(Br)cn3)CC2)cc1 ZINC000895408614 663512511 /nfs/dbraw/zinc/51/25/11/663512511.db2.gz XHMQSAWWJMDBGJ-UHFFFAOYSA-N 1 1 386.297 2.865 20 30 GFEDMO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902987190 663770536 /nfs/dbraw/zinc/77/05/36/663770536.db2.gz FBBCIGVFEUIPSC-CYBMUJFWSA-N 1 1 378.885 2.544 20 30 GFEDMO N#Cc1cc(CS(=O)(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cs1 ZINC000913873673 664362859 /nfs/dbraw/zinc/36/28/59/664362859.db2.gz PWEMLWJIZNWKDU-UHFFFAOYSA-N 1 1 375.519 2.657 20 30 GFEDMO N#Cc1cc(CS(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cs1 ZINC000913873673 664362860 /nfs/dbraw/zinc/36/28/60/664362860.db2.gz PWEMLWJIZNWKDU-UHFFFAOYSA-N 1 1 375.519 2.657 20 30 GFEDMO Cc1[nH+]c(C=NNS(=O)(=O)c2ccc(Br)cc2)c2ccccn12 ZINC000914601072 664412681 /nfs/dbraw/zinc/41/26/81/664412681.db2.gz HMOFEIHNDCXCKN-UHFFFAOYSA-N 1 1 393.266 2.718 20 30 GFEDMO CN(C1CC[NH+](CCC(F)(F)F)CC1)S(=O)(=O)Cc1csc(C#N)c1 ZINC000916181554 664453766 /nfs/dbraw/zinc/45/37/66/664453766.db2.gz AJKJWBZTQWARJI-UHFFFAOYSA-N 1 1 395.472 2.798 20 30 GFEDMO C=C(Br)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001040779089 665075901 /nfs/dbraw/zinc/07/59/01/665075901.db2.gz ADPJLRVSMHMYKO-ALYAQQCSSA-N 1 1 395.341 2.633 20 30 GFEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC001164643266 719215256 /nfs/dbraw/zinc/21/52/56/719215256.db2.gz YLQOWBJGNDDVMB-QWRGUYRKSA-N 1 1 386.830 2.857 20 30 GFEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC001164643266 719215258 /nfs/dbraw/zinc/21/52/58/719215258.db2.gz YLQOWBJGNDDVMB-QWRGUYRKSA-N 1 1 386.830 2.857 20 30 GFEDMO COc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(F)cc1C#N ZINC001164837143 720593802 /nfs/dbraw/zinc/59/38/02/720593802.db2.gz HETUQBSWSROIIB-ZIFCJYIRSA-N 1 1 398.486 2.675 20 30 GFEDMO N#Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1Cl ZINC001164744102 720814024 /nfs/dbraw/zinc/81/40/24/720814024.db2.gz HJVQNFVGKPQHDO-GPMSIDNRSA-N 1 1 397.914 2.578 20 30 GFEDMO N#CCc1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164877597 721171304 /nfs/dbraw/zinc/17/13/04/721171304.db2.gz OXXKEBKJMKZCRL-MSOLQXFVSA-N 1 1 383.883 2.676 20 30 GFEDMO Cc1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)cc1C#N ZINC001164866675 721186578 /nfs/dbraw/zinc/18/65/78/721186578.db2.gz BSMLVVMMNQFHIN-ROUUACIJSA-N 1 1 383.883 2.790 20 30 GFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)cc2C#N)[C@H]2CCCO[C@H]12 ZINC001164798582 721570074 /nfs/dbraw/zinc/57/00/74/721570074.db2.gz BNHZLNOWFCFGIZ-OTWHNJEPSA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)cc2C#N)[C@H]2CCCO[C@H]12 ZINC001164798582 721570076 /nfs/dbraw/zinc/57/00/76/721570076.db2.gz BNHZLNOWFCFGIZ-OTWHNJEPSA-N 1 1 383.883 2.870 20 30 GFEDMO N#CCc1cncc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908189 721719828 /nfs/dbraw/zinc/71/98/28/721719828.db2.gz WHYBIFBSAXQHAN-LJQANCHMSA-N 1 1 384.434 2.675 20 30 GFEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc4c(C#N)c[nH]c4n3)C[C@@H]21 ZINC001165027319 721820039 /nfs/dbraw/zinc/82/00/39/721820039.db2.gz UHWMTZJFMIFNDV-RYGJVYDSSA-N 1 1 387.491 2.961 20 30 GFEDMO Cc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ccc1C#N ZINC001164960038 722057858 /nfs/dbraw/zinc/05/78/58/722057858.db2.gz FBEMSXXPOQZCGT-UHFFFAOYSA-N 1 1 377.492 2.776 20 30 GFEDMO Cc1ccc(CC#N)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972672 722144900 /nfs/dbraw/zinc/14/49/00/722144900.db2.gz AGSXMRINPKJGFW-RTWAWAEBSA-N 1 1 377.492 2.578 20 30 GFEDMO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000181440238 552256925 /nfs/dbraw/zinc/25/69/25/552256925.db2.gz RFZYBHBASDEYDI-NVXWUHKLSA-N 1 1 392.297 2.585 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)c(F)cc2C)CC1 ZINC000189952445 552483783 /nfs/dbraw/zinc/48/37/83/552483783.db2.gz WAGTVFVXDIROQI-UHFFFAOYSA-N 1 1 391.306 2.825 20 30 GFEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000245914358 553099068 /nfs/dbraw/zinc/09/90/68/553099068.db2.gz FCUPOOOXAMVKHO-KGLIPLIRSA-N 1 1 390.285 2.938 20 30 GFEDMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000245914358 553099070 /nfs/dbraw/zinc/09/90/70/553099070.db2.gz FCUPOOOXAMVKHO-KGLIPLIRSA-N 1 1 390.285 2.938 20 30 GFEDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000281693605 563383955 /nfs/dbraw/zinc/38/39/55/563383955.db2.gz ARZGHURARVDJCZ-GFCCVEGCSA-N 1 1 375.416 2.539 20 30 GFEDMO N#Cc1cc(F)c(N2CCN(c3ccc(N)[nH+]c3)CC2)cc1Br ZINC000324086185 563451714 /nfs/dbraw/zinc/45/17/14/563451714.db2.gz ZTDGAGTXWJVOPR-UHFFFAOYSA-N 1 1 376.233 2.764 20 30 GFEDMO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[N@H+](C)C1 ZINC000329044217 563471230 /nfs/dbraw/zinc/47/12/30/563471230.db2.gz PHQORGSYANJOGW-CQDKDKBSSA-N 1 1 386.279 2.774 20 30 GFEDMO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[N@@H+](C)C1 ZINC000329044217 563471231 /nfs/dbraw/zinc/47/12/31/563471231.db2.gz PHQORGSYANJOGW-CQDKDKBSSA-N 1 1 386.279 2.774 20 30 GFEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[N@H+](C)C1 ZINC000329044218 563471371 /nfs/dbraw/zinc/47/13/71/563471371.db2.gz PHQORGSYANJOGW-GLQYFDAESA-N 1 1 386.279 2.774 20 30 GFEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[N@@H+](C)C1 ZINC000329044218 563471374 /nfs/dbraw/zinc/47/13/74/563471374.db2.gz PHQORGSYANJOGW-GLQYFDAESA-N 1 1 386.279 2.774 20 30 GFEDMO O=C(NCC[N@@H+]1CCc2sccc2C1)[C@H]1CSCN1C(=O)C1CCC1 ZINC000329166961 563474212 /nfs/dbraw/zinc/47/42/12/563474212.db2.gz IEJDZOVSMLEAPO-OAHLLOKOSA-N 1 1 379.551 2.764 20 30 GFEDMO O=C(NCC[N@H+]1CCc2sccc2C1)[C@H]1CSCN1C(=O)C1CCC1 ZINC000329166961 563474213 /nfs/dbraw/zinc/47/42/13/563474213.db2.gz IEJDZOVSMLEAPO-OAHLLOKOSA-N 1 1 379.551 2.764 20 30 GFEDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000379703508 563514377 /nfs/dbraw/zinc/51/43/77/563514377.db2.gz DYSASHXXSRJHSF-HOCLYGCPSA-N 1 1 375.519 2.951 20 30 GFEDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408394998 563553824 /nfs/dbraw/zinc/55/38/24/563553824.db2.gz LMIXHVOBVVCMJS-KGLIPLIRSA-N 1 1 398.326 2.568 20 30 GFEDMO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000435162401 563643870 /nfs/dbraw/zinc/64/38/70/563643870.db2.gz JZGWURFOKVOKEY-LBPRGKRZSA-N 1 1 375.416 2.587 20 30 GFEDMO COC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000288693638 563653989 /nfs/dbraw/zinc/65/39/89/563653989.db2.gz DGUZIOUYKLVIDW-GOSISDBHSA-N 1 1 378.881 2.963 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)c1cccc(F)c1 ZINC000443098511 563791841 /nfs/dbraw/zinc/79/18/41/563791841.db2.gz YCLLEQXVLNCDJD-INIZCTEOSA-N 1 1 381.860 2.932 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](CC(N)=O)C2)cc1OC ZINC000367710824 563852887 /nfs/dbraw/zinc/85/28/87/563852887.db2.gz WEOJOENGCVVEHN-LBPRGKRZSA-N 1 1 383.286 2.720 20 30 GFEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)COc3cccc(Br)c3C#N)CC[C@H]21 ZINC000450144997 564218968 /nfs/dbraw/zinc/21/89/68/564218968.db2.gz HUSQBJLAYHBJOY-CZUORRHYSA-N 1 1 392.297 2.642 20 30 GFEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)COc3ccc(C#N)c(Br)c3)CC[C@H]21 ZINC000450147829 564219381 /nfs/dbraw/zinc/21/93/81/564219381.db2.gz OICJITWDJZJFHP-RHSMWYFYSA-N 1 1 392.297 2.642 20 30 GFEDMO Cc1cc[nH+]c(N2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)c1 ZINC000450198985 564221987 /nfs/dbraw/zinc/22/19/87/564221987.db2.gz JXXPBZANGDEFKW-UHFFFAOYSA-N 1 1 385.265 2.987 20 30 GFEDMO COc1ccc(Br)c(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000565742056 564293788 /nfs/dbraw/zinc/29/37/88/564293788.db2.gz LGMRFYGCONJSOZ-UHFFFAOYSA-N 1 1 378.274 2.530 20 30 GFEDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000481759540 564522510 /nfs/dbraw/zinc/52/25/10/564522510.db2.gz CLWXPSLCQLTXNL-LSDHHAIUSA-N 1 1 381.270 2.863 20 30 GFEDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(C#N)cc1Br ZINC000481759540 564522514 /nfs/dbraw/zinc/52/25/14/564522514.db2.gz CLWXPSLCQLTXNL-LSDHHAIUSA-N 1 1 381.270 2.863 20 30 GFEDMO N#C[C@@H]1CC[C@H]([NH+]2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000555379870 564791357 /nfs/dbraw/zinc/79/13/57/564791357.db2.gz NGSPXHCXAZFLBP-PBHICJAKSA-N 1 1 391.313 2.697 20 30 GFEDMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000558479941 564903700 /nfs/dbraw/zinc/90/37/00/564903700.db2.gz XQPZAXJUSZLZAR-LBPRGKRZSA-N 1 1 377.432 2.976 20 30 GFEDMO C[NH+]1CCC(C#N)(NC(=O)c2cc3c(cncc3Br)s2)CC1 ZINC000592612000 565285322 /nfs/dbraw/zinc/28/53/22/565285322.db2.gz OCAVQKLLDCBQAY-UHFFFAOYSA-N 1 1 379.283 2.777 20 30 GFEDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccsc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000593561032 565341135 /nfs/dbraw/zinc/34/11/35/565341135.db2.gz YLCQDGBQLVZFFG-GOEBONIOSA-N 1 1 375.519 2.951 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000594757189 565415395 /nfs/dbraw/zinc/41/53/95/565415395.db2.gz ABCBYSHSZXIEMM-MEDUHNTESA-N 1 1 375.519 2.842 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000594757189 565415400 /nfs/dbraw/zinc/41/54/00/565415400.db2.gz ABCBYSHSZXIEMM-MEDUHNTESA-N 1 1 375.519 2.842 20 30 GFEDMO Cc1ccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cc1C#N ZINC000599255501 565664658 /nfs/dbraw/zinc/66/46/58/565664658.db2.gz DMYBXFCGQNUUJZ-UHFFFAOYSA-N 1 1 375.519 2.871 20 30 GFEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599525880 565686926 /nfs/dbraw/zinc/68/69/26/565686926.db2.gz AWEPLHPKEUVDAX-CQSZACIVSA-N 1 1 398.326 2.627 20 30 GFEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599525880 565686932 /nfs/dbraw/zinc/68/69/32/565686932.db2.gz AWEPLHPKEUVDAX-CQSZACIVSA-N 1 1 398.326 2.627 20 30 GFEDMO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000669807459 565703679 /nfs/dbraw/zinc/70/36/79/565703679.db2.gz XTRXUSBEJKOBLU-LBPRGKRZSA-N 1 1 379.306 2.752 20 30 GFEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1cccc(S(N)(=O)=O)c1 ZINC000611932115 566145465 /nfs/dbraw/zinc/14/54/65/566145465.db2.gz OZDTYMKBNNXPCR-LLVKDONJSA-N 1 1 394.294 2.819 20 30 GFEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823903937 608460984 /nfs/dbraw/zinc/46/09/84/608460984.db2.gz NUOQTDDNWROUTR-INIZCTEOSA-N 1 1 378.480 2.545 20 30 GFEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1N=Nc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824995297 608537111 /nfs/dbraw/zinc/53/71/11/608537111.db2.gz YJDHHGMXSPGTIS-LBPRGKRZSA-N 1 1 397.874 2.620 20 30 GFEDMO C#CCOc1ccccc1C[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000823861554 608584139 /nfs/dbraw/zinc/58/41/39/608584139.db2.gz NDTYYEAZVZJPPC-UHFFFAOYSA-N 1 1 388.475 2.591 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC000818588661 660229151 /nfs/dbraw/zinc/22/91/51/660229151.db2.gz AFBYQJBQKRKOBS-LBPRGKRZSA-N 1 1 387.705 2.941 20 30 GFEDMO COC(=O)C1(C#N)CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000831687404 660719790 /nfs/dbraw/zinc/71/97/90/660719790.db2.gz PHUMZLPOBNBFJT-ZDUSSCGKSA-N 1 1 387.263 2.512 20 30 GFEDMO C#C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000836316552 660899377 /nfs/dbraw/zinc/89/93/77/660899377.db2.gz RVZWJPTUYHHRDT-IAGOWNOFSA-N 1 1 376.298 2.907 20 30 GFEDMO C#CCCCCC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000837014019 660965473 /nfs/dbraw/zinc/96/54/73/660965473.db2.gz SPEFVIIECKLJLW-UHFFFAOYSA-N 1 1 379.302 2.728 20 30 GFEDMO C=C(Br)CNC(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000156737301 655095399 /nfs/dbraw/zinc/09/53/99/655095399.db2.gz SFTQSCTYJVVGOH-IRXDYDNUSA-N 1 1 396.329 2.874 20 30 GFEDMO C=C(Br)CNC(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000156737301 655095401 /nfs/dbraw/zinc/09/54/01/655095401.db2.gz SFTQSCTYJVVGOH-IRXDYDNUSA-N 1 1 396.329 2.874 20 30 GFEDMO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccc(Br)cc3)CC2)nc1 ZINC000728914879 655559773 /nfs/dbraw/zinc/55/97/73/655559773.db2.gz YJTLDYXQEFLDFX-KRWDZBQOSA-N 1 1 387.281 2.571 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000729811974 655568888 /nfs/dbraw/zinc/56/88/88/655568888.db2.gz ICGZSWGFSNSYSW-STQMWFEESA-N 1 1 383.275 2.753 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000756543746 655901808 /nfs/dbraw/zinc/90/18/08/655901808.db2.gz RKIWHAMCSZDBIS-CYBMUJFWSA-N 1 1 381.226 2.920 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000756543746 655901810 /nfs/dbraw/zinc/90/18/10/655901810.db2.gz RKIWHAMCSZDBIS-CYBMUJFWSA-N 1 1 381.226 2.920 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc(Br)c(OC)c(OC)c1 ZINC000793140037 658362844 /nfs/dbraw/zinc/36/28/44/658362844.db2.gz IEPULZHGNBJJPT-CYBMUJFWSA-N 1 1 382.254 2.721 20 30 GFEDMO C#CC[N@H+](CCC(=O)N(C)OC)[C@H]1CCOc2ccc(Br)cc21 ZINC000799123435 659166032 /nfs/dbraw/zinc/16/60/32/659166032.db2.gz YMKBYSXODVBHBS-HNNXBMFYSA-N 1 1 381.270 2.618 20 30 GFEDMO C#CC[N@H+](C)CCCN[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000815651800 660127326 /nfs/dbraw/zinc/12/73/26/660127326.db2.gz DNYHATIVEBUOOL-CQSZACIVSA-N 1 1 390.329 2.944 20 30 GFEDMO C=CCS(=O)(=O)CC[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000848547502 661662905 /nfs/dbraw/zinc/66/29/05/661662905.db2.gz QDPCIBMKHADGCH-UHFFFAOYSA-N 1 1 398.326 2.634 20 30 GFEDMO C#CC[N@@H+](C[C@@H](O)CC(=O)OCC)[C@H]1CCOc2ccc(Br)cc21 ZINC000859139383 662140105 /nfs/dbraw/zinc/14/01/05/662140105.db2.gz GANYDQCJUSUCKM-HOCLYGCPSA-N 1 1 396.281 2.522 20 30 GFEDMO C#CC[N@H+](C[C@@H](O)CC(=O)OCC)[C@H]1CCOc2ccc(Br)cc21 ZINC000859139383 662140107 /nfs/dbraw/zinc/14/01/07/662140107.db2.gz GANYDQCJUSUCKM-HOCLYGCPSA-N 1 1 396.281 2.522 20 30 GFEDMO C#CC[N@@H+](C[C@@H](O)CC(=O)OCC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000859139381 662140171 /nfs/dbraw/zinc/14/01/71/662140171.db2.gz GANYDQCJUSUCKM-GOEBONIOSA-N 1 1 396.281 2.522 20 30 GFEDMO C#CC[N@H+](C[C@@H](O)CC(=O)OCC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000859139381 662140173 /nfs/dbraw/zinc/14/01/73/662140173.db2.gz GANYDQCJUSUCKM-GOEBONIOSA-N 1 1 396.281 2.522 20 30 GFEDMO C[NH+]1CCN(C2CCN(C(=S)Nc3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000865267283 662408649 /nfs/dbraw/zinc/40/86/49/662408649.db2.gz KBLNLHXIHNUIML-UHFFFAOYSA-N 1 1 377.945 2.620 20 30 GFEDMO Cc1ccc(Br)c(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1C#N ZINC000872489941 662772503 /nfs/dbraw/zinc/77/25/03/662772503.db2.gz UHNCPKPQEPATHV-INIZCTEOSA-N 1 1 391.313 2.548 20 30 GFEDMO COc1cc(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)ccc1C#N ZINC000894795720 663482107 /nfs/dbraw/zinc/48/21/07/663482107.db2.gz TXNDPZNFZYGMAH-UHFFFAOYSA-N 1 1 378.885 2.803 20 30 GFEDMO C#CC[NH+]1CCC(Nc2ncc(Cn3cc(Br)cn3)s2)CC1 ZINC000895809154 663528349 /nfs/dbraw/zinc/52/83/49/663528349.db2.gz ZVFJLYYCCSJSMB-UHFFFAOYSA-N 1 1 380.315 2.660 20 30 GFEDMO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cc(C#N)ccn1 ZINC000902986516 663770545 /nfs/dbraw/zinc/77/05/45/663770545.db2.gz BRVLUAMJLJNYDJ-NSHDSACASA-N 1 1 399.303 2.889 20 30 GFEDMO C[C@H]1C[C@@H](C(=O)Nc2ccc(C#N)cc2I)CC[N@H+]1C ZINC000906209289 663932158 /nfs/dbraw/zinc/93/21/58/663932158.db2.gz SSUYWQJXBPURJY-JQWIXIFHSA-N 1 1 383.233 2.832 20 30 GFEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000914199453 664384845 /nfs/dbraw/zinc/38/48/45/664384845.db2.gz IWZSYKVGBBPMRY-KRWDZBQOSA-N 1 1 375.519 2.656 20 30 GFEDMO Cc1cc(CNS(=O)(=O)Cc2csc(C#N)c2)cc(N2CCCC2)[nH+]1 ZINC000915735631 664439852 /nfs/dbraw/zinc/43/98/52/664439852.db2.gz TYNXXIWAIQMTMX-UHFFFAOYSA-N 1 1 376.507 2.543 20 30 GFEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1ccc(Cl)cc1Cl ZINC000916310163 664456918 /nfs/dbraw/zinc/45/69/18/664456918.db2.gz PTLNCMAQOXOEDZ-UHFFFAOYSA-N 1 1 375.325 2.514 20 30 GFEDMO C[C@@](C#N)(NC(=O)C[NH2+][C@@H]1CCOc2ccc(Br)cc21)C1CC1 ZINC000932211889 664813909 /nfs/dbraw/zinc/81/39/09/664813909.db2.gz HWKJYDLJCSMFPW-PBHICJAKSA-N 1 1 378.270 2.671 20 30 GFEDMO O=C1NCC[C@H]1CC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944996 664844080 /nfs/dbraw/zinc/84/40/80/664844080.db2.gz PBUCGEDXYXDWBX-XHNCKOQMSA-N 1 1 380.279 2.615 20 30 GFEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2Br)C[C@H]1C ZINC001080474272 677676319 /nfs/dbraw/zinc/67/63/19/677676319.db2.gz RDHSFBCDPUPYBK-UWIFEVILSA-N 1 1 393.325 2.977 20 30 GFEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2Br)C[C@H]1C ZINC001080474272 677676320 /nfs/dbraw/zinc/67/63/20/677676320.db2.gz RDHSFBCDPUPYBK-UWIFEVILSA-N 1 1 393.325 2.977 20 30 GFEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cnc3C#N)CC[C@@H]21 ZINC001164835327 720520170 /nfs/dbraw/zinc/52/01/70/720520170.db2.gz JYWBGCYLDNFMQM-ZOBUZTSGSA-N 1 1 385.903 2.576 20 30 GFEDMO CCCc1cc(C#N)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1Cl ZINC001164740450 720716290 /nfs/dbraw/zinc/71/62/90/720716290.db2.gz QLNZOVJKWOCAKX-IRXDYDNUSA-N 1 1 398.898 2.691 20 30 GFEDMO N#Cc1cc(Cl)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740612 720841317 /nfs/dbraw/zinc/84/13/17/720841317.db2.gz DCQVQSUOJJGJDO-YTQUADARSA-N 1 1 397.914 2.578 20 30 GFEDMO N#Cc1cc2c(nc1N1CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C1)CCCC2 ZINC001164871499 721140685 /nfs/dbraw/zinc/14/06/85/721140685.db2.gz FCAGVHPOTIKKKD-LEWJYISDSA-N 1 1 389.503 2.707 20 30 GFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(F)c3C#N)C2)C1 ZINC001164782934 721356409 /nfs/dbraw/zinc/35/64/09/721356409.db2.gz NSMIRUUAHAUZOO-OAQYLSRUSA-N 1 1 399.470 2.816 20 30 GFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc(F)c3C#N)C2)C1 ZINC001164782934 721356413 /nfs/dbraw/zinc/35/64/13/721356413.db2.gz NSMIRUUAHAUZOO-OAQYLSRUSA-N 1 1 399.470 2.816 20 30 GFEDMO Cc1nc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1C#N ZINC001164808735 721556921 /nfs/dbraw/zinc/55/69/21/721556921.db2.gz VNSZVZAQTGUHOE-BZSNNMDCSA-N 1 1 398.898 2.573 20 30 GFEDMO Cc1nc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1C#N ZINC001164808735 721556924 /nfs/dbraw/zinc/55/69/24/721556924.db2.gz VNSZVZAQTGUHOE-BZSNNMDCSA-N 1 1 398.898 2.573 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2[nH]ccc3ncc(C#N)c2-3)[C@H]2CCCO[C@@H]12 ZINC001164806326 721572311 /nfs/dbraw/zinc/57/23/11/721572311.db2.gz PVKHWBCEFOOYAG-QKNQBKEWSA-N 1 1 388.475 2.698 20 30 GFEDMO N#Cc1cnc2cc[nH]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c1-2 ZINC001164983350 722135528 /nfs/dbraw/zinc/13/55/28/722135528.db2.gz UNHMSIBMRQNQNQ-YLJYHZDGSA-N 1 1 388.475 2.557 20 30 GFEDMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccc(OCC)cc2)C1 ZINC000010036119 204328912 /nfs/dbraw/zinc/32/89/12/204328912.db2.gz UVMDIDYIQWNZFI-QGZVFWFLSA-N 1 1 387.480 2.607 20 30 GFEDMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccc(OCC)cc2)C1 ZINC000010036119 204328915 /nfs/dbraw/zinc/32/89/15/204328915.db2.gz UVMDIDYIQWNZFI-QGZVFWFLSA-N 1 1 387.480 2.607 20 30 GFEDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1ccccc1 ZINC000180222427 552217785 /nfs/dbraw/zinc/21/77/85/552217785.db2.gz LXXYGRUEYVGTFN-AEFFLSMTSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1ccccc1 ZINC000180222427 552217791 /nfs/dbraw/zinc/21/77/91/552217791.db2.gz LXXYGRUEYVGTFN-AEFFLSMTSA-N 1 1 375.881 2.935 20 30 GFEDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000185119534 552354720 /nfs/dbraw/zinc/35/47/20/552354720.db2.gz UBQCBJCACAXHBE-ZJWNCGCPSA-N 1 1 381.567 2.916 20 30 GFEDMO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000185321850 552360963 /nfs/dbraw/zinc/36/09/63/552360963.db2.gz VSNIRNSATUGKHX-RHSMWYFYSA-N 1 1 379.913 2.849 20 30 GFEDMO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000190461527 552496967 /nfs/dbraw/zinc/49/69/67/552496967.db2.gz NVIKUCRKKMJVPA-DIFFPNOSSA-N 1 1 380.286 2.917 20 30 GFEDMO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000191787244 552538003 /nfs/dbraw/zinc/53/80/03/552538003.db2.gz VXSUOHAHCXVRPT-MRXNPFEDSA-N 1 1 385.302 2.555 20 30 GFEDMO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000191787244 552538005 /nfs/dbraw/zinc/53/80/05/552538005.db2.gz VXSUOHAHCXVRPT-MRXNPFEDSA-N 1 1 385.302 2.555 20 30 GFEDMO CC[C@@H](CSC)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245949565 553099811 /nfs/dbraw/zinc/09/98/11/553099811.db2.gz WGWDQMKRAXXGLL-JKSUJKDBSA-N 1 1 380.583 2.530 20 30 GFEDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000246158901 553103386 /nfs/dbraw/zinc/10/33/86/553103386.db2.gz LQNAJRCXADPJAZ-YJBOKZPZSA-N 1 1 375.519 2.981 20 30 GFEDMO COc1sc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1Br ZINC000373485329 563340344 /nfs/dbraw/zinc/34/03/44/563340344.db2.gz NHCODFLTBILHGN-UHFFFAOYSA-N 1 1 382.287 2.819 20 30 GFEDMO Cc1ccc2c(ncc(C#N)c2NC[C@@H]2C[N@H+](C)CCN2C)c1Br ZINC000280825647 563355802 /nfs/dbraw/zinc/35/58/02/563355802.db2.gz YOWDZXZINBMHIO-CQSZACIVSA-N 1 1 388.313 2.835 20 30 GFEDMO C[C@](C#N)(NC(=O)C[NH2+][C@@H]1CCOc2c(Br)cccc21)C1CC1 ZINC000282157729 563399577 /nfs/dbraw/zinc/39/95/77/563399577.db2.gz UAHYTBSXTHVYDB-RHSMWYFYSA-N 1 1 378.270 2.671 20 30 GFEDMO N#Cc1ccc(Br)c(CN2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000375426652 563404901 /nfs/dbraw/zinc/40/49/01/563404901.db2.gz JNXKLNQIOWFTDM-IAGOWNOFSA-N 1 1 378.314 2.742 20 30 GFEDMO CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000328871864 563467498 /nfs/dbraw/zinc/46/74/98/563467498.db2.gz DPHGLPOGEMGFHM-ZDUSSCGKSA-N 1 1 396.285 2.615 20 30 GFEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000328936127 563469037 /nfs/dbraw/zinc/46/90/37/563469037.db2.gz COKRGJSLPBLNTL-CABCVRRESA-N 1 1 385.555 2.732 20 30 GFEDMO O=C(NCC[NH+]1CCSCC1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000329436298 563479752 /nfs/dbraw/zinc/47/97/52/563479752.db2.gz LWPIYZSCGWLFJX-HNNXBMFYSA-N 1 1 399.969 2.860 20 30 GFEDMO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccccc1C#N ZINC000428799587 563501943 /nfs/dbraw/zinc/50/19/43/563501943.db2.gz JUUCCSBVNUQXIU-PXAZEXFGSA-N 1 1 388.265 2.971 20 30 GFEDMO CCN(CCC#N)S(=O)(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000409594713 563566007 /nfs/dbraw/zinc/56/60/07/563566007.db2.gz CMXIYVCDTLZUIG-KRWDZBQOSA-N 1 1 384.933 2.547 20 30 GFEDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)COc2cccc(Br)c2C#N)C1 ZINC000333568353 563635856 /nfs/dbraw/zinc/63/58/56/563635856.db2.gz PHWLDDLALUHXQE-BBRMVZONSA-N 1 1 392.297 2.642 20 30 GFEDMO C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000440265104 563738657 /nfs/dbraw/zinc/73/86/57/563738657.db2.gz ATHGOAYTJVDADB-ZDUSSCGKSA-N 1 1 382.302 2.920 20 30 GFEDMO C[N@H+]1CCC[C@H](CCNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000416554650 563847504 /nfs/dbraw/zinc/84/75/04/563847504.db2.gz JYDONQCRXSTQHE-GFCCVEGCSA-N 1 1 375.416 2.587 20 30 GFEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(Br)cc2C#N)C[C@@H](C)O1 ZINC000448620489 563899198 /nfs/dbraw/zinc/89/91/98/563899198.db2.gz FEFKQMKEIQDQKU-CHWSQXEVSA-N 1 1 394.313 2.938 20 30 GFEDMO C[NH+](C)[C@@H](CNC(=O)COc1cccc(Br)c1C#N)c1ccco1 ZINC000449065796 563906391 /nfs/dbraw/zinc/90/63/91/563906391.db2.gz WIZNOVZFUJJBFA-AWEZNQCLSA-N 1 1 392.253 2.712 20 30 GFEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)COc1cccc(Br)c1C#N ZINC000449636211 564193673 /nfs/dbraw/zinc/19/36/73/564193673.db2.gz ZMUZELRJXNSVLX-CYBMUJFWSA-N 1 1 380.286 2.690 20 30 GFEDMO CC(C)[N@H+]1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449833096 564204576 /nfs/dbraw/zinc/20/45/76/564204576.db2.gz DZRBXARWEPRWGS-UHFFFAOYSA-N 1 1 380.286 2.642 20 30 GFEDMO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC000513012717 564417586 /nfs/dbraw/zinc/41/75/86/564417586.db2.gz SDPSQDOSFAICPT-UHFFFAOYSA-N 1 1 381.860 2.727 20 30 GFEDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000481759534 564522873 /nfs/dbraw/zinc/52/28/73/564522873.db2.gz CLWXPSLCQLTXNL-CABCVRRESA-N 1 1 381.270 2.863 20 30 GFEDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(C#N)cc1Br ZINC000481759534 564522878 /nfs/dbraw/zinc/52/28/78/564522878.db2.gz CLWXPSLCQLTXNL-CABCVRRESA-N 1 1 381.270 2.863 20 30 GFEDMO C[N@H+](CCNS(=O)(=O)c1ccc(C#N)c(Cl)c1)Cc1ccc(F)cc1 ZINC000484750875 564597342 /nfs/dbraw/zinc/59/73/42/564597342.db2.gz KCZAJSPUHIUFSU-UHFFFAOYSA-N 1 1 381.860 2.761 20 30 GFEDMO C[N@@H+](CCNS(=O)(=O)c1ccc(C#N)c(Cl)c1)Cc1ccc(F)cc1 ZINC000484750875 564597347 /nfs/dbraw/zinc/59/73/47/564597347.db2.gz KCZAJSPUHIUFSU-UHFFFAOYSA-N 1 1 381.860 2.761 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000459683686 564756816 /nfs/dbraw/zinc/75/68/16/564756816.db2.gz CTDOYAPDJKDESB-CQSZACIVSA-N 1 1 398.301 2.856 20 30 GFEDMO N#C[C@H]1CC[C@H]([NH+]2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000555379877 564791328 /nfs/dbraw/zinc/79/13/28/564791328.db2.gz NGSPXHCXAZFLBP-YOEHRIQHSA-N 1 1 391.313 2.697 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cccnc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000528545257 564793035 /nfs/dbraw/zinc/79/30/35/564793035.db2.gz DVSKRYMUYPJHGU-OAHLLOKOSA-N 1 1 399.303 2.841 20 30 GFEDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000492876193 564804755 /nfs/dbraw/zinc/80/47/55/564804755.db2.gz VGIVSDOKLOMVBN-GJZGRUSLSA-N 1 1 381.270 2.863 20 30 GFEDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc(C#N)ccc1Br ZINC000492876193 564804757 /nfs/dbraw/zinc/80/47/57/564804757.db2.gz VGIVSDOKLOMVBN-GJZGRUSLSA-N 1 1 381.270 2.863 20 30 GFEDMO N#C[C@H](NC(=O)CCCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000499408320 564926343 /nfs/dbraw/zinc/92/63/43/564926343.db2.gz OYYKKYGISDMOBU-INIZCTEOSA-N 1 1 380.286 2.632 20 30 GFEDMO N#CC1(NC(=O)C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CCC1 ZINC000561873877 565012292 /nfs/dbraw/zinc/01/22/92/565012292.db2.gz ZVXNEUMTKZDNGG-ZDUSSCGKSA-N 1 1 375.778 2.544 20 30 GFEDMO C=CCC[C@@H](O)C[N@H+](CCNC(C)=O)Cc1ccc(Br)s1 ZINC000503210183 565013970 /nfs/dbraw/zinc/01/39/70/565013970.db2.gz NSETTXFBRFLOJF-CYBMUJFWSA-N 1 1 375.332 2.776 20 30 GFEDMO N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594198182 565378388 /nfs/dbraw/zinc/37/83/88/565378388.db2.gz SUVMHRJCHAQDSM-IAGOWNOFSA-N 1 1 376.298 2.996 20 30 GFEDMO N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594195189 565378856 /nfs/dbraw/zinc/37/88/56/565378856.db2.gz CXZUZXGJIIJHLT-HOTGVXAUSA-N 1 1 392.297 2.833 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000594485087 565394548 /nfs/dbraw/zinc/39/45/48/565394548.db2.gz WALHNRQTQSLCBH-HOTGVXAUSA-N 1 1 398.326 2.616 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000594754668 565415193 /nfs/dbraw/zinc/41/51/93/565415193.db2.gz NOIOFNJCRNWZOX-OAHLLOKOSA-N 1 1 375.519 2.844 20 30 GFEDMO Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ncc1Br ZINC000598972138 565651485 /nfs/dbraw/zinc/65/14/85/565651485.db2.gz DSHOCBDSUZDHGS-GOSISDBHSA-N 1 1 399.292 2.915 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000599542266 565687708 /nfs/dbraw/zinc/68/77/08/565687708.db2.gz RVEXIINBOAUUDQ-RKDXNWHRSA-N 1 1 390.228 2.778 20 30 GFEDMO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccncc3Br)C2=O)cc1 ZINC000601118120 565766814 /nfs/dbraw/zinc/76/68/14/565766814.db2.gz HJEBMVBCCDSKJT-QGZVFWFLSA-N 1 1 385.265 2.606 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672306980 565802172 /nfs/dbraw/zinc/80/21/72/565802172.db2.gz HOXGAKKELAQUOE-CQSZACIVSA-N 1 1 381.929 2.517 20 30 GFEDMO N#Cc1ccc(Cl)cc1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737718609 599395657 /nfs/dbraw/zinc/39/56/57/599395657.db2.gz NWQMPNXFRIRFHT-UHFFFAOYSA-N 1 1 379.855 2.714 20 30 GFEDMO CCC(CC)C[N@@H+](CCC#N)CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000820893828 599640386 /nfs/dbraw/zinc/64/03/86/599640386.db2.gz WWBIFLDVFJWSEC-UHFFFAOYSA-N 1 1 375.502 2.909 20 30 GFEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cc(F)ccc3-c3nn[nH]n3)CC2)cc1 ZINC000822825694 607057311 /nfs/dbraw/zinc/05/73/11/607057311.db2.gz LPEWEORJSOXHEO-UHFFFAOYSA-N 1 1 391.454 2.585 20 30 GFEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)cc1 ZINC000822825694 607057313 /nfs/dbraw/zinc/05/73/13/607057313.db2.gz LPEWEORJSOXHEO-UHFFFAOYSA-N 1 1 391.454 2.585 20 30 GFEDMO N#Cc1ccc(CN2CCC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)cc1 ZINC000822825694 607057315 /nfs/dbraw/zinc/05/73/15/607057315.db2.gz LPEWEORJSOXHEO-UHFFFAOYSA-N 1 1 391.454 2.585 20 30 GFEDMO N#Cc1ccc(C2=CC[N@@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000826385027 608462348 /nfs/dbraw/zinc/46/23/48/608462348.db2.gz UNBARTVGNMEGQU-UHFFFAOYSA-N 1 1 399.458 2.856 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000836491147 660910455 /nfs/dbraw/zinc/91/04/55/660910455.db2.gz IJVAUWVOFVUCLK-UHFFFAOYSA-N 1 1 391.313 2.727 20 30 GFEDMO C=C(Br)C[NH2+]Cc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000105453914 655093217 /nfs/dbraw/zinc/09/32/17/655093217.db2.gz QHQYSKYZJUSUJT-CYBMUJFWSA-N 1 1 385.302 2.939 20 30 GFEDMO C[C@H](O[NH+]=C(N)C1CCOCC1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000112087431 655182121 /nfs/dbraw/zinc/18/21/21/655182121.db2.gz MDQWASVWCFRTCI-LBPRGKRZSA-N 1 1 398.301 2.511 20 30 GFEDMO C#CCCC[N@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000766907129 656188195 /nfs/dbraw/zinc/18/81/95/656188195.db2.gz VGMLEHZIUDVWRV-UHFFFAOYSA-N 1 1 391.356 2.620 20 30 GFEDMO C#CCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000766907129 656188197 /nfs/dbraw/zinc/18/81/97/656188197.db2.gz VGMLEHZIUDVWRV-UHFFFAOYSA-N 1 1 391.356 2.620 20 30 GFEDMO C=CCS(=O)(=O)CC[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000782966925 657197709 /nfs/dbraw/zinc/19/77/09/657197709.db2.gz JYKMTKHVWQCIDK-UHFFFAOYSA-N 1 1 384.242 2.741 20 30 GFEDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1cccc(S(N)(=O)=O)c1 ZINC000782977865 657198311 /nfs/dbraw/zinc/19/83/11/657198311.db2.gz AIQMFMOCAYUIAX-LBPRGKRZSA-N 1 1 379.869 2.741 20 30 GFEDMO Fc1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c(I)c1 ZINC000841634531 661306930 /nfs/dbraw/zinc/30/69/30/661306930.db2.gz YTCGLELRAZSYOI-BETUJISGSA-N 1 1 386.212 2.624 20 30 GFEDMO CC(C)c1nn(-c2ccc(Br)cc2)cc1C=NNC1=[NH+]CCN1 ZINC000841662650 661307484 /nfs/dbraw/zinc/30/74/84/661307484.db2.gz ZVMSVKRKMULIEK-UHFFFAOYSA-N 1 1 375.274 2.641 20 30 GFEDMO Cc1nc2ccc(Br)cc2c(=O)n1N=C1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000844604172 661429675 /nfs/dbraw/zinc/42/96/75/661429675.db2.gz OHIBNLBVNPLDOO-SNVBAGLBSA-N 1 1 375.270 2.928 20 30 GFEDMO Cc1nc2ccc(Br)cc2c(=O)n1N=C1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000844604172 661429677 /nfs/dbraw/zinc/42/96/77/661429677.db2.gz OHIBNLBVNPLDOO-SNVBAGLBSA-N 1 1 375.270 2.928 20 30 GFEDMO CN(C)c1[nH+]cc(/C=C2/Cc3ccc(I)cc3C2=O)n1C ZINC000853009131 661878530 /nfs/dbraw/zinc/87/85/30/661878530.db2.gz FAOOSVLNIABJTM-XFFZJAGNSA-N 1 1 393.228 2.913 20 30 GFEDMO C#CC[N@@H+](C[C@H](O)CC1(O)CCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000859140180 662140419 /nfs/dbraw/zinc/14/04/19/662140419.db2.gz KSSICNIZMYVUEK-WBVHZDCISA-N 1 1 394.309 2.874 20 30 GFEDMO C#CC[N@H+](C[C@H](O)CC1(O)CCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000859140180 662140421 /nfs/dbraw/zinc/14/04/21/662140421.db2.gz KSSICNIZMYVUEK-WBVHZDCISA-N 1 1 394.309 2.874 20 30 GFEDMO Cn1ncc(I)c1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000866631124 662485867 /nfs/dbraw/zinc/48/58/67/662485867.db2.gz GFIQOTRIJZHMLP-CQSZACIVSA-N 1 1 378.217 2.673 20 30 GFEDMO N#Cc1cccc(Br)c1N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000882987147 663046185 /nfs/dbraw/zinc/04/61/85/663046185.db2.gz UJRXDBHLJUNFMR-MRXNPFEDSA-N 1 1 393.329 2.529 20 30 GFEDMO N#Cc1cccc(Br)c1N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000882987147 663046188 /nfs/dbraw/zinc/04/61/88/663046188.db2.gz UJRXDBHLJUNFMR-MRXNPFEDSA-N 1 1 393.329 2.529 20 30 GFEDMO CO[C@@]1(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCOC1 ZINC000897054922 663588746 /nfs/dbraw/zinc/58/87/46/663588746.db2.gz LOTAVDOCEVQSQY-KXUCPTDWSA-N 1 1 383.279 2.895 20 30 GFEDMO Cc1ccc(CNS(=O)(=O)Cc2csc(C#N)c2)c(N2CCCC2)[nH+]1 ZINC000914347439 664402157 /nfs/dbraw/zinc/40/21/57/664402157.db2.gz BPIBIPDEYUVVPL-UHFFFAOYSA-N 1 1 376.507 2.543 20 30 GFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1csc(C#N)c1 ZINC000914374955 664404473 /nfs/dbraw/zinc/40/44/73/664404473.db2.gz ROIBMVPMWGMLEG-KSSFIOAISA-N 1 1 375.519 2.560 20 30 GFEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1c(Cl)cccc1Cl ZINC000916309404 664456900 /nfs/dbraw/zinc/45/69/00/664456900.db2.gz BICFDYQNKCTXJT-UHFFFAOYSA-N 1 1 375.325 2.514 20 30 GFEDMO Cc1cccc(C[N@H+]2CC[C@H](NS(=O)(=O)Cc3csc(C#N)c3)C2)c1 ZINC000918838978 664505567 /nfs/dbraw/zinc/50/55/67/664505567.db2.gz OYMVNDQHQNGMQX-KRWDZBQOSA-N 1 1 375.519 2.622 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000923567318 664634103 /nfs/dbraw/zinc/63/41/03/664634103.db2.gz BVJDQQGCCIVQNR-GFCCVEGCSA-N 1 1 388.265 2.530 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000923567318 664634105 /nfs/dbraw/zinc/63/41/05/664634105.db2.gz BVJDQQGCCIVQNR-GFCCVEGCSA-N 1 1 388.265 2.530 20 30 GFEDMO C[C@](CO)([NH2+]CC(=O)Nc1sccc1C#N)c1cccc(Br)c1 ZINC000934496715 664909135 /nfs/dbraw/zinc/90/91/35/664909135.db2.gz DCVDXGKZCBIGBN-MRXNPFEDSA-N 1 1 394.294 2.818 20 30 GFEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)c(F)cc1C#N)C2 ZINC001164813130 720069883 /nfs/dbraw/zinc/06/98/83/720069883.db2.gz SQENKTDTJOAWKW-HNAYVOBHSA-N 1 1 378.879 2.930 20 30 GFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)nc(C#N)n1)CC2 ZINC001164718016 720124194 /nfs/dbraw/zinc/12/41/94/720124194.db2.gz QCYLYQMGRCTKTL-IBGZPJMESA-N 1 1 392.507 2.559 20 30 GFEDMO Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C#N ZINC001164842117 720547727 /nfs/dbraw/zinc/54/77/27/720547727.db2.gz WQRUDRWOLNGZIV-LZLYRXPVSA-N 1 1 399.930 2.884 20 30 GFEDMO Cc1nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cnc1C#N ZINC001164836494 720707233 /nfs/dbraw/zinc/70/72/33/720707233.db2.gz BLUGYVBCBJIKCN-LJQANCHMSA-N 1 1 377.492 2.917 20 30 GFEDMO N#Cc1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164751191 720808060 /nfs/dbraw/zinc/80/80/60/720808060.db2.gz XJLCOLQMELDZJO-FGTMMUONSA-N 1 1 397.914 2.578 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)cc(C#N)n2)[C@@H]2CCCO[C@H]12 ZINC001164806069 721547667 /nfs/dbraw/zinc/54/76/67/721547667.db2.gz NQVUPKIHHMZWGV-GGPKGHCWSA-N 1 1 383.883 2.870 20 30 GFEDMO N#Cc1cc2nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)ccc2[nH]1 ZINC001164910414 721551243 /nfs/dbraw/zinc/55/12/43/721551243.db2.gz WSCDTNCANWNRHZ-FUHWJXTLSA-N 1 1 377.423 2.916 20 30 GFEDMO N#Cc1cc2c(nc1N1CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C1)CCC2 ZINC001164909220 721553687 /nfs/dbraw/zinc/55/36/87/721553687.db2.gz SZXWWLIBRSCZLU-UYAOXDASSA-N 1 1 378.451 2.923 20 30 GFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)CCC3)[C@H]2CCCO[C@H]12 ZINC001164801729 721577323 /nfs/dbraw/zinc/57/73/23/721577323.db2.gz FMNVIIMDGBVRQC-BDTNDASRSA-N 1 1 389.503 2.705 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)CCC3)[C@H]2CCCO[C@H]12 ZINC001164801729 721577327 /nfs/dbraw/zinc/57/73/27/721577327.db2.gz FMNVIIMDGBVRQC-BDTNDASRSA-N 1 1 389.503 2.705 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C)c(Br)cc2C)CC1 ZINC000172028514 551669058 /nfs/dbraw/zinc/66/90/58/551669058.db2.gz WBLXRUIPYWSNLO-UHFFFAOYSA-N 1 1 387.343 2.995 20 30 GFEDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000178943245 552180249 /nfs/dbraw/zinc/18/02/49/552180249.db2.gz CFPCXJIJYZUEBU-ROUUACIJSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000178943245 552180250 /nfs/dbraw/zinc/18/02/50/552180250.db2.gz CFPCXJIJYZUEBU-ROUUACIJSA-N 1 1 375.881 2.935 20 30 GFEDMO Cc1sc(NC(=O)C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c(C#N)c1C ZINC000183121905 552301066 /nfs/dbraw/zinc/30/10/66/552301066.db2.gz IBIXHHZSBLYKDN-CPJLOUKISA-N 1 1 375.519 2.885 20 30 GFEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(c3ccnn3CCO)CC2)c1 ZINC000191780465 552537944 /nfs/dbraw/zinc/53/79/44/552537944.db2.gz GBEQCUZVIWRMAB-UHFFFAOYSA-N 1 1 389.297 2.889 20 30 GFEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2ncc(Br)cc2C#N)C[C@H](C)O1 ZINC000295112133 563229564 /nfs/dbraw/zinc/22/95/64/563229564.db2.gz VMAHXTYFIZCPTM-ZENOOKHLSA-N 1 1 379.302 2.794 20 30 GFEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2ncc(Br)cc2C#N)C[C@H](C)O1 ZINC000295112133 563229567 /nfs/dbraw/zinc/22/95/67/563229567.db2.gz VMAHXTYFIZCPTM-ZENOOKHLSA-N 1 1 379.302 2.794 20 30 GFEDMO COc1ccc(Br)c(C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1 ZINC000373491813 563340046 /nfs/dbraw/zinc/34/00/46/563340046.db2.gz YPVDIEHZRRRZOG-UHFFFAOYSA-N 1 1 376.258 2.758 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422484212 563341111 /nfs/dbraw/zinc/34/11/11/563341111.db2.gz CAHYKKWMUDCQDT-AWEZNQCLSA-N 1 1 383.945 2.764 20 30 GFEDMO COC(=O)CC[N@@H+](Cc1ccc(Br)cc1C#N)C[C@H]1CCCO1 ZINC000323358430 563450983 /nfs/dbraw/zinc/45/09/83/563450983.db2.gz WCALPUDFPVZZIB-MRXNPFEDSA-N 1 1 381.270 2.865 20 30 GFEDMO COC(=O)CC[N@H+](Cc1ccc(Br)cc1C#N)C[C@H]1CCCO1 ZINC000323358430 563450986 /nfs/dbraw/zinc/45/09/86/563450986.db2.gz WCALPUDFPVZZIB-MRXNPFEDSA-N 1 1 381.270 2.865 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCCn1cc[nH+]c1C ZINC000284440224 563474653 /nfs/dbraw/zinc/47/46/53/563474653.db2.gz ZGNYBIRRZDWZAE-UHFFFAOYSA-N 1 1 380.901 2.628 20 30 GFEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000329213977 563475519 /nfs/dbraw/zinc/47/55/19/563475519.db2.gz KKLMLEBTGXHMQX-AWEZNQCLSA-N 1 1 385.555 2.712 20 30 GFEDMO C[N@@H+](CC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@@H]1CCSC1 ZINC000329491859 563481591 /nfs/dbraw/zinc/48/15/91/563481591.db2.gz SYSCYPFDCXLUIP-IUODEOHRSA-N 1 1 385.892 2.978 20 30 GFEDMO CC[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[N@@H+]1CCOC ZINC000331325755 563545645 /nfs/dbraw/zinc/54/56/45/563545645.db2.gz OKZGMUVCCGPNDI-CQSZACIVSA-N 1 1 380.286 2.504 20 30 GFEDMO CC[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[N@H+]1CCOC ZINC000331325755 563545648 /nfs/dbraw/zinc/54/56/48/563545648.db2.gz OKZGMUVCCGPNDI-CQSZACIVSA-N 1 1 380.286 2.504 20 30 GFEDMO N#Cc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000287186355 563591114 /nfs/dbraw/zinc/59/11/14/563591114.db2.gz KQMUQMOWMQHZDQ-ZDUSSCGKSA-N 1 1 393.285 2.507 20 30 GFEDMO N#CCCn1ccc(=NC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)[nH]1 ZINC000363062113 563713596 /nfs/dbraw/zinc/71/35/96/563713596.db2.gz DSLOFOUTKXDIGK-UHFFFAOYSA-N 1 1 377.901 2.784 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000294057249 563830967 /nfs/dbraw/zinc/83/09/67/563830967.db2.gz USUGUTLZJPSUMV-UHFFFAOYSA-N 1 1 378.885 2.553 20 30 GFEDMO C=CCOc1c(Br)cc(CN2CC[N@@H+](CCO)C[C@H]2C)cc1OC ZINC000449785222 564201769 /nfs/dbraw/zinc/20/17/69/564201769.db2.gz DZICYCQDKMDDMU-CQSZACIVSA-N 1 1 399.329 2.521 20 30 GFEDMO CC(C)[N@@H+]1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)[C@@H](C)C1 ZINC000450097405 564216543 /nfs/dbraw/zinc/21/65/43/564216543.db2.gz OMEKDJVATZBLOW-LRDDRELGSA-N 1 1 380.286 2.544 20 30 GFEDMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000450097404 564216728 /nfs/dbraw/zinc/21/67/28/564216728.db2.gz OMEKDJVATZBLOW-BLLLJJGKSA-N 1 1 380.286 2.544 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCNC2=O)cc1OCC ZINC000539895224 564231751 /nfs/dbraw/zinc/23/17/51/564231751.db2.gz UGDYQUYNZUWAMZ-AWEZNQCLSA-N 1 1 383.286 2.733 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CCNC2=O)cc1OCC ZINC000539895224 564231756 /nfs/dbraw/zinc/23/17/56/564231756.db2.gz UGDYQUYNZUWAMZ-AWEZNQCLSA-N 1 1 383.286 2.733 20 30 GFEDMO Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451266951 564292797 /nfs/dbraw/zinc/29/27/97/564292797.db2.gz PTTWMDOXUXUYMP-OAHLLOKOSA-N 1 1 378.885 2.764 20 30 GFEDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](CCOCC(F)(F)C(F)F)C1 ZINC000510905459 564350118 /nfs/dbraw/zinc/35/01/18/564350118.db2.gz QAZFBOXTBQVLKG-SNVBAGLBSA-N 1 1 382.320 2.684 20 30 GFEDMO C=C[C@@](C)(O)CC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456361914 564602746 /nfs/dbraw/zinc/60/27/46/564602746.db2.gz DBUUEUFWCRKJBI-FZKQIMNGSA-N 1 1 396.329 2.855 20 30 GFEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000522376439 564651091 /nfs/dbraw/zinc/65/10/91/564651091.db2.gz WQICUGACNDVGFT-CYBMUJFWSA-N 1 1 375.416 2.539 20 30 GFEDMO C[N@H+]1CCC[C@@H](CCNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000458218011 564694369 /nfs/dbraw/zinc/69/43/69/564694369.db2.gz WHKGPEGZZMUYKH-ZDUSSCGKSA-N 1 1 380.286 2.548 20 30 GFEDMO CC1CC[NH+]([C@H](CNS(=O)(=O)c2ccc(C#N)o2)c2cccs2)CC1 ZINC000562871644 565046188 /nfs/dbraw/zinc/04/61/88/565046188.db2.gz QUECBRBZWYDLIA-OAHLLOKOSA-N 1 1 379.507 2.964 20 30 GFEDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000589307948 565159817 /nfs/dbraw/zinc/15/98/17/565159817.db2.gz XQPZAXJUSZLZAR-GFCCVEGCSA-N 1 1 377.432 2.976 20 30 GFEDMO C[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[N@H+](Cc2ccccc2)C1 ZINC000593609469 565347491 /nfs/dbraw/zinc/34/74/91/565347491.db2.gz QPKSKICOKWWPDA-HNNXBMFYSA-N 1 1 375.519 2.762 20 30 GFEDMO C[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000593609469 565347499 /nfs/dbraw/zinc/34/74/99/565347499.db2.gz QPKSKICOKWWPDA-HNNXBMFYSA-N 1 1 375.519 2.762 20 30 GFEDMO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000594789053 565421105 /nfs/dbraw/zinc/42/11/05/565421105.db2.gz JUPFAQOSXNFBDD-LBPRGKRZSA-N 1 1 375.416 2.728 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000594789053 565421110 /nfs/dbraw/zinc/42/11/10/565421110.db2.gz JUPFAQOSXNFBDD-LBPRGKRZSA-N 1 1 375.416 2.728 20 30 GFEDMO CC(C)[N@@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccc(C#N)cc1 ZINC000820117249 599636192 /nfs/dbraw/zinc/63/61/92/599636192.db2.gz XDVWFAXSNKGGGV-UHFFFAOYSA-N 1 1 389.463 2.978 20 30 GFEDMO N#Cc1ccc(C[NH+]2CCN(c3ccc4cc(-c5nn[nH]n5)ccc4n3)CC2)cc1 ZINC000826385045 608222208 /nfs/dbraw/zinc/22/22/08/608222208.db2.gz VAXMJFHUURQURU-UHFFFAOYSA-N 1 1 396.458 2.609 20 30 GFEDMO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824045640 608465456 /nfs/dbraw/zinc/46/54/56/608465456.db2.gz NSOWXHRCIWLBLO-HNNXBMFYSA-N 1 1 399.458 2.855 20 30 GFEDMO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824045640 608465457 /nfs/dbraw/zinc/46/54/57/608465457.db2.gz NSOWXHRCIWLBLO-HNNXBMFYSA-N 1 1 399.458 2.855 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)CSc1nc(C)nc2sc(C)c(C)c21 ZINC000818609471 660229946 /nfs/dbraw/zinc/22/99/46/660229946.db2.gz YYCHAJFIRSSLQC-UHFFFAOYSA-N 1 1 376.551 2.780 20 30 GFEDMO C#C[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)C1CCOCC1 ZINC000827560503 660502452 /nfs/dbraw/zinc/50/24/52/660502452.db2.gz QSJAUNIZTONRGS-INIZCTEOSA-N 1 1 375.270 2.548 20 30 GFEDMO N#Cc1ccc(OCC(=O)O[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000835397230 660854988 /nfs/dbraw/zinc/85/49/88/660854988.db2.gz RVFAEJFBGVPUAE-ZFWWWQNUSA-N 1 1 379.254 2.870 20 30 GFEDMO C#C[C@H](NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000836345728 660900871 /nfs/dbraw/zinc/90/08/71/660900871.db2.gz OKQDBDZWHKPWRA-DYVFJYSZSA-N 1 1 376.298 2.907 20 30 GFEDMO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cc(Br)ccc1O ZINC000174423564 655202049 /nfs/dbraw/zinc/20/20/49/655202049.db2.gz WHRRZVNCHPVEEV-QGZVFWFLSA-N 1 1 380.286 2.785 20 30 GFEDMO C#CCOc1ccc(Br)cc1C[NH2+]CC1(N(C)C)CCOCC1 ZINC000113960120 655216716 /nfs/dbraw/zinc/21/67/16/655216716.db2.gz DDDVAQJWYFYFBE-UHFFFAOYSA-N 1 1 381.314 2.662 20 30 GFEDMO C#CC[N@H+](CCCN1CCOCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000743848679 655732289 /nfs/dbraw/zinc/73/22/89/655732289.db2.gz XETXWZFBIMKUKJ-SFHVURJKSA-N 1 1 393.325 2.930 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc3ccc(Cl)nc3cc2F)CC1 ZINC000750158056 655811972 /nfs/dbraw/zinc/81/19/72/655811972.db2.gz XVEKKRIBGLJMIY-UHFFFAOYSA-N 1 1 383.876 2.956 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC000751467261 655828609 /nfs/dbraw/zinc/82/86/09/655828609.db2.gz GFOQQZGEIMPEMA-MRXNPFEDSA-N 1 1 381.860 2.932 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1csc(I)c1 ZINC000756550210 655901739 /nfs/dbraw/zinc/90/17/39/655901739.db2.gz JIBGQYBGEGLDSL-NSHDSACASA-N 1 1 375.231 2.607 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1csc(I)c1 ZINC000756550210 655901740 /nfs/dbraw/zinc/90/17/40/655901740.db2.gz JIBGQYBGEGLDSL-NSHDSACASA-N 1 1 375.231 2.607 20 30 GFEDMO C#CCC[NH+]1CCN(C(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)CC1 ZINC000797616350 659038488 /nfs/dbraw/zinc/03/84/88/659038488.db2.gz LTPYIWFSXKWSHH-UHFFFAOYSA-N 1 1 377.275 2.960 20 30 GFEDMO C#CC[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000843267648 661374953 /nfs/dbraw/zinc/37/49/53/661374953.db2.gz BWVWLCXRWJSKTC-CJNGLKHVSA-N 1 1 375.266 2.816 20 30 GFEDMO C#CCN(C[C@@H](O)C[N@H+](C)C(C)C)[C@H]1CCOc2ccc(Br)cc21 ZINC000851771412 661831345 /nfs/dbraw/zinc/83/13/45/661831345.db2.gz DOQWWCDJIRDLRJ-WMZOPIPTSA-N 1 1 395.341 2.909 20 30 GFEDMO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[N@@H+](C)C2CCC2)nc1C ZINC000863856262 662349149 /nfs/dbraw/zinc/34/91/49/662349149.db2.gz NFOALDQAIKLSCJ-UHFFFAOYSA-N 1 1 378.527 2.608 20 30 GFEDMO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[N@H+](C)C2CCC2)nc1C ZINC000863856262 662349152 /nfs/dbraw/zinc/34/91/52/662349152.db2.gz NFOALDQAIKLSCJ-UHFFFAOYSA-N 1 1 378.527 2.608 20 30 GFEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000885287400 663088645 /nfs/dbraw/zinc/08/86/45/663088645.db2.gz RAKFYWRVIICZDZ-HLTSFMKQSA-N 1 1 380.279 2.568 20 30 GFEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccc(Br)c1C#N ZINC000885460004 663090995 /nfs/dbraw/zinc/09/09/95/663090995.db2.gz SRPNKMDGAWDPMJ-OLZOCXBDSA-N 1 1 398.326 2.568 20 30 GFEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CCC1 ZINC000886274269 663106585 /nfs/dbraw/zinc/10/65/85/663106585.db2.gz PTTHDNWODKYMON-GJZGRUSLSA-N 1 1 380.286 2.742 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)Cc2ccsc2Br)CC1 ZINC000914071306 664374277 /nfs/dbraw/zinc/37/42/77/664374277.db2.gz MMGDZPCYFFIPNL-UHFFFAOYSA-N 1 1 379.345 2.580 20 30 GFEDMO CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1csc(C#N)c1 ZINC000914253817 664391058 /nfs/dbraw/zinc/39/10/58/664391058.db2.gz PKASZCSFYPKOBE-KRWDZBQOSA-N 1 1 375.519 2.656 20 30 GFEDMO N#Cc1ccc(NC(=O)NCCCCC[NH+]2CCNCC2)cc1Br ZINC000926113552 664682100 /nfs/dbraw/zinc/68/21/00/664682100.db2.gz ARXOBRYLZVMDOJ-UHFFFAOYSA-N 1 1 394.317 2.518 20 30 GFEDMO CC(C)OC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941275 664843467 /nfs/dbraw/zinc/84/34/67/664843467.db2.gz LEYVFBSMNTVMIS-BBBLOLIVSA-N 1 1 385.295 2.875 20 30 GFEDMO CN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1CC1 ZINC000932948685 664844425 /nfs/dbraw/zinc/84/44/25/664844425.db2.gz LYBVIPTVXOXLOS-DTORHVGOSA-N 1 1 380.279 2.710 20 30 GFEDMO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1CC1 ZINC000932948685 664844427 /nfs/dbraw/zinc/84/44/27/664844427.db2.gz LYBVIPTVXOXLOS-DTORHVGOSA-N 1 1 380.279 2.710 20 30 GFEDMO Cn1cc([C@H]2CSCCC[N@H+]2CCC(=O)Nc2sccc2C#N)cn1 ZINC000933982220 664884206 /nfs/dbraw/zinc/88/42/06/664884206.db2.gz OZWXAVJQQYRLEC-OAHLLOKOSA-N 1 1 375.523 2.862 20 30 GFEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc(Cl)c3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836109 720520454 /nfs/dbraw/zinc/52/04/54/720520454.db2.gz MPUAPGZFGIWROH-YQQAZPJKSA-N 1 1 385.903 2.576 20 30 GFEDMO COc1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C#N ZINC001164842569 720530246 /nfs/dbraw/zinc/53/02/46/720530246.db2.gz YJORWPKITZWMKK-ZIFCJYIRSA-N 1 1 380.496 2.536 20 30 GFEDMO C=CCOc1cc(C)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164837990 720548004 /nfs/dbraw/zinc/54/80/04/720548004.db2.gz NCXSPEAJCUXMNU-VAMGGRTRSA-N 1 1 396.539 2.924 20 30 GFEDMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1C#N ZINC001164866306 721050359 /nfs/dbraw/zinc/05/03/59/721050359.db2.gz DVHZAZQKHGBFFF-IAGOWNOFSA-N 1 1 383.883 2.790 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(C5(C#N)CCC5)cn4)C[C@H]3C2)cn1 ZINC001164762216 721129575 /nfs/dbraw/zinc/12/95/75/721129575.db2.gz CNYMDOZLUKUGPI-RTBURBONSA-N 1 1 376.508 2.719 20 30 GFEDMO Cc1ncc(C#N)c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904870 721697656 /nfs/dbraw/zinc/69/76/56/721697656.db2.gz HDDDHDNLXCWKLM-LJQANCHMSA-N 1 1 384.434 2.789 20 30 GFEDMO Cc1nc(C#N)cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164911763 721737693 /nfs/dbraw/zinc/73/76/93/721737693.db2.gz KHUMBIFRFAEPPL-IBGZPJMESA-N 1 1 384.434 2.789 20 30 GFEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc(C#N)nc4C)CC3)C2)cc1 ZINC001164939175 721929886 /nfs/dbraw/zinc/92/98/86/721929886.db2.gz KBPISJMMEKZLJW-UHFFFAOYSA-N 1 1 377.492 2.837 20 30 GFEDMO N#Cc1cc2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ccc2[nH]1 ZINC001164984597 722137650 /nfs/dbraw/zinc/13/76/50/722137650.db2.gz XMWZYFJOQQWMHB-UTKZUKDTSA-N 1 1 388.475 2.557 20 30 GFEDMO C[NH+]1CCN(C(=O)c2ccc(CNc3snc(Cl)c3C#N)cc2)CC1 ZINC000052242221 551163925 /nfs/dbraw/zinc/16/39/25/551163925.db2.gz VIUAXPPCFGBQAV-UHFFFAOYSA-N 1 1 375.885 2.668 20 30 GFEDMO CC(C)OC(=O)CC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120991810 551224755 /nfs/dbraw/zinc/22/47/55/551224755.db2.gz CUSZKSPCGRDCLZ-QGZVFWFLSA-N 1 1 394.313 2.973 20 30 GFEDMO C[C@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000179382866 552191881 /nfs/dbraw/zinc/19/18/81/552191881.db2.gz VYKNFNOEFSHVIH-KSSFIOAISA-N 1 1 394.313 2.973 20 30 GFEDMO C[C@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000179382866 552191882 /nfs/dbraw/zinc/19/18/82/552191882.db2.gz VYKNFNOEFSHVIH-KSSFIOAISA-N 1 1 394.313 2.973 20 30 GFEDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000246041835 553101369 /nfs/dbraw/zinc/10/13/69/553101369.db2.gz BGONOIQETCNLNF-BXUZGUMPSA-N 1 1 375.416 2.538 20 30 GFEDMO C#CCO[C@@H](C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000295016472 563225373 /nfs/dbraw/zinc/22/53/73/563225373.db2.gz RFEBMSFEEXEBEY-AWEZNQCLSA-N 1 1 379.298 2.568 20 30 GFEDMO Cc1nn(C)c(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1Br ZINC000280036361 563319497 /nfs/dbraw/zinc/31/94/97/563319497.db2.gz YTJHTHBCZZIJDT-UHFFFAOYSA-N 1 1 388.313 2.681 20 30 GFEDMO C=C(Br)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000373815584 563351698 /nfs/dbraw/zinc/35/16/98/563351698.db2.gz ONQOOWOOBFNXFB-MLGOLLRUSA-N 1 1 376.258 2.789 20 30 GFEDMO C=C(Br)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000373815584 563351702 /nfs/dbraw/zinc/35/17/02/563351702.db2.gz ONQOOWOOBFNXFB-MLGOLLRUSA-N 1 1 376.258 2.789 20 30 GFEDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000330371202 563502945 /nfs/dbraw/zinc/50/29/45/563502945.db2.gz IAMHUDNVRDCFMI-GFCCVEGCSA-N 1 1 375.416 2.587 20 30 GFEDMO N#CC1(NC(=O)C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)CCCCC1 ZINC000429014784 563507950 /nfs/dbraw/zinc/50/79/50/563507950.db2.gz WTFWIALMPNGYAB-OAHLLOKOSA-N 1 1 398.276 2.554 20 30 GFEDMO Cc1cccc(Br)c1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000330891895 563525212 /nfs/dbraw/zinc/52/52/12/563525212.db2.gz XIBVMWUDSDOJFN-UHFFFAOYSA-N 1 1 382.302 2.615 20 30 GFEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000331188385 563539115 /nfs/dbraw/zinc/53/91/15/563539115.db2.gz UOPLGFBSBKJXAS-UHFFFAOYSA-N 1 1 391.274 2.774 20 30 GFEDMO N#Cc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1Br ZINC000287305204 563595812 /nfs/dbraw/zinc/59/58/12/563595812.db2.gz TUNZMMWGFUZERP-HNNXBMFYSA-N 1 1 395.301 2.679 20 30 GFEDMO C[C@H](CCC#N)[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000411323398 563614880 /nfs/dbraw/zinc/61/48/80/563614880.db2.gz JMYLYUWPOMLTTF-CQSZACIVSA-N 1 1 379.302 2.697 20 30 GFEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCSC[C@H]2CCO)sc2c1CCCC2 ZINC000333418170 563631529 /nfs/dbraw/zinc/63/15/29/563631529.db2.gz HPRIDLQOZMUMEP-CYBMUJFWSA-N 1 1 379.551 2.627 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000563764167 564205757 /nfs/dbraw/zinc/20/57/57/564205757.db2.gz DEXMYPQSLQIFGY-KRWDZBQOSA-N 1 1 381.860 2.932 20 30 GFEDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000450097406 564216211 /nfs/dbraw/zinc/21/62/11/564216211.db2.gz OMEKDJVATZBLOW-MLGOLLRUSA-N 1 1 380.286 2.544 20 30 GFEDMO N#Cc1cc(Br)cnc1NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000450242063 564223662 /nfs/dbraw/zinc/22/36/62/564223662.db2.gz NQBRERAXFLMGHE-KRWDZBQOSA-N 1 1 387.281 2.547 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451899378 564363323 /nfs/dbraw/zinc/36/33/23/564363323.db2.gz YUFUOXHSWSYYDO-KCQAQPDRSA-N 1 1 376.444 2.896 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451899378 564363326 /nfs/dbraw/zinc/36/33/26/564363326.db2.gz YUFUOXHSWSYYDO-KCQAQPDRSA-N 1 1 376.444 2.896 20 30 GFEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@@]3(CCSC3)C1)CCC2 ZINC000567791349 564388124 /nfs/dbraw/zinc/38/81/24/564388124.db2.gz OQHQCTMQHHBIMA-SFHVURJKSA-N 1 1 377.535 2.645 20 30 GFEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@@]3(CCSC3)C1)CCC2 ZINC000567791349 564388129 /nfs/dbraw/zinc/38/81/29/564388129.db2.gz OQHQCTMQHHBIMA-SFHVURJKSA-N 1 1 377.535 2.645 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](C)CCNC(C)=O)cc1OCC ZINC000517030973 564521643 /nfs/dbraw/zinc/52/16/43/564521643.db2.gz FAMVKZXXWWVPEO-UHFFFAOYSA-N 1 1 385.302 2.981 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000571464769 564552602 /nfs/dbraw/zinc/55/26/02/564552602.db2.gz IJESINYDIGOPMD-KRWDZBQOSA-N 1 1 381.860 2.932 20 30 GFEDMO C[N@H+](CCNS(=O)(=O)c1ccc(Cl)c(C#N)c1)Cc1ccc(F)cc1 ZINC000484755783 564597439 /nfs/dbraw/zinc/59/74/39/564597439.db2.gz UUXWJXCEVHSHRM-UHFFFAOYSA-N 1 1 381.860 2.761 20 30 GFEDMO C[N@@H+](CCNS(=O)(=O)c1ccc(Cl)c(C#N)c1)Cc1ccc(F)cc1 ZINC000484755783 564597442 /nfs/dbraw/zinc/59/74/42/564597442.db2.gz UUXWJXCEVHSHRM-UHFFFAOYSA-N 1 1 381.860 2.761 20 30 GFEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487862175 564698239 /nfs/dbraw/zinc/69/82/39/564698239.db2.gz YYLBKTUAEAOPJU-OAHLLOKOSA-N 1 1 395.301 2.799 20 30 GFEDMO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000577147147 564726148 /nfs/dbraw/zinc/72/61/48/564726148.db2.gz CJQRGHLEMSKVIW-AWEZNQCLSA-N 1 1 391.317 2.895 20 30 GFEDMO C[N@@H+]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000498850322 564910741 /nfs/dbraw/zinc/91/07/41/564910741.db2.gz AHVQTLAZCYAGFW-AEFFLSMTSA-N 1 1 375.881 2.588 20 30 GFEDMO C[N@H+]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000498850322 564910746 /nfs/dbraw/zinc/91/07/46/564910746.db2.gz AHVQTLAZCYAGFW-AEFFLSMTSA-N 1 1 375.881 2.588 20 30 GFEDMO C=CC[C@@]1(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CCC[NH2+]1 ZINC000662566524 565377274 /nfs/dbraw/zinc/37/72/74/565377274.db2.gz WBZSARFHUDJDJU-KRWDZBQOSA-N 1 1 390.285 2.549 20 30 GFEDMO N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594195186 565378371 /nfs/dbraw/zinc/37/83/71/565378371.db2.gz CXZUZXGJIIJHLT-CVEARBPZSA-N 1 1 392.297 2.833 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000594485086 565394266 /nfs/dbraw/zinc/39/42/66/565394266.db2.gz WALHNRQTQSLCBH-CVEARBPZSA-N 1 1 398.326 2.616 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000594801881 565423263 /nfs/dbraw/zinc/42/32/63/565423263.db2.gz UOYMOOADPICPCM-ZDUSSCGKSA-N 1 1 375.416 2.728 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000597861868 565578735 /nfs/dbraw/zinc/57/87/35/565578735.db2.gz XLYFJZJUIOFPSB-ZDUSSCGKSA-N 1 1 394.313 2.936 20 30 GFEDMO CCC[N@@H+](C)CC(C)(C)NC(=O)COc1cccc(Br)c1C#N ZINC000598466410 565619919 /nfs/dbraw/zinc/61/99/19/565619919.db2.gz SSHMKNJHOZZWMM-UHFFFAOYSA-N 1 1 382.302 2.936 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](C)C[C@@H]2COCCO2)cc1OC ZINC000668543118 565653530 /nfs/dbraw/zinc/65/35/30/565653530.db2.gz SQQNLRDTKVGSMV-CQSZACIVSA-N 1 1 386.286 2.870 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@]2(CO)CCOC2)cc1OC ZINC000628366252 565785509 /nfs/dbraw/zinc/78/55/09/565785509.db2.gz GSADNGRDGOQUDX-KRWDZBQOSA-N 1 1 386.286 2.606 20 30 GFEDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2c2cc(C#N)c(Br)cn2)C[C@H](C)O1 ZINC000603346292 565899532 /nfs/dbraw/zinc/89/95/32/565899532.db2.gz ACZLCQWGCVALAZ-VNHYZAJKSA-N 1 1 379.302 2.794 20 30 GFEDMO CCN(CC)c1nc2sc(C(=O)NC3(C#N)CC[NH+](C)CC3)cc2s1 ZINC000604308638 565927045 /nfs/dbraw/zinc/92/70/45/565927045.db2.gz URXMQNKQEOBQQM-UHFFFAOYSA-N 1 1 377.539 2.922 20 30 GFEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000609538027 566043048 /nfs/dbraw/zinc/04/30/48/566043048.db2.gz JJVOOADWRGYJQW-WBVHZDCISA-N 1 1 386.323 2.899 20 30 GFEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000611431938 566128949 /nfs/dbraw/zinc/12/89/49/566128949.db2.gz DHSRKFMXXUUMEN-KDOFPFPSSA-N 1 1 386.323 2.899 20 30 GFEDMO CC(C)C[N@@H+](CCC#N)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735827015 598988427 /nfs/dbraw/zinc/98/84/27/598988427.db2.gz AAJKEXSJSGCFEY-UHFFFAOYSA-N 1 1 375.864 2.720 20 30 GFEDMO N#Cc1cccc(OCCC[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826387430 608071994 /nfs/dbraw/zinc/07/19/94/608071994.db2.gz VCGDLZKEPPCRBE-FQEVSTJZSA-N 1 1 390.447 2.581 20 30 GFEDMO N#Cc1cccc(OCCC[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826387430 608071995 /nfs/dbraw/zinc/07/19/95/608071995.db2.gz VCGDLZKEPPCRBE-FQEVSTJZSA-N 1 1 390.447 2.581 20 30 GFEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)cc1 ZINC000826384711 608857995 /nfs/dbraw/zinc/85/79/95/608857995.db2.gz GWUWENGPWDZPLN-UHFFFAOYSA-N 1 1 382.431 2.675 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000818602726 660229679 /nfs/dbraw/zinc/22/96/79/660229679.db2.gz AOQISHFTFSKLNC-UHFFFAOYSA-N 1 1 379.298 2.873 20 30 GFEDMO N#CCCC[C@H]([NH3+])c1nc(COc2ccc(I)cc2)no1 ZINC000823168236 660363798 /nfs/dbraw/zinc/36/37/98/660363798.db2.gz SMHMKHXEPFPRRB-LBPRGKRZSA-N 1 1 398.204 2.947 20 30 GFEDMO C#C[C@@H](NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000836345732 660900800 /nfs/dbraw/zinc/90/08/00/660900800.db2.gz OKQDBDZWHKPWRA-SUMWQHHRSA-N 1 1 376.298 2.907 20 30 GFEDMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccsc1 ZINC000041649016 654628542 /nfs/dbraw/zinc/62/85/42/654628542.db2.gz NZTKIROKSZOYQB-OAHLLOKOSA-N 1 1 376.869 2.631 20 30 GFEDMO N#Cc1c(NC(=O)CC[N@H+]2CCS[C@H]3COCC[C@@H]32)sc2c1CCC2 ZINC000135538605 655019812 /nfs/dbraw/zinc/01/98/12/655019812.db2.gz BQTALMXQDDCWIQ-HOCLYGCPSA-N 1 1 377.535 2.643 20 30 GFEDMO N#Cc1ccc([C@@H](O)C[N@@H+](CCO)Cc2cc(Br)ccc2F)cc1 ZINC000156088064 655089450 /nfs/dbraw/zinc/08/94/50/655089450.db2.gz NLNMCIAJLGEGNY-SFHVURJKSA-N 1 1 393.256 2.988 20 30 GFEDMO N#Cc1ccc([C@@H](O)C[N@H+](CCO)Cc2cc(Br)ccc2F)cc1 ZINC000156088064 655089454 /nfs/dbraw/zinc/08/94/54/655089454.db2.gz NLNMCIAJLGEGNY-SFHVURJKSA-N 1 1 393.256 2.988 20 30 GFEDMO NC(=[NH+]OCc1nc(-c2cccc(Br)c2)no1)C1CCOCC1 ZINC000112970597 655200811 /nfs/dbraw/zinc/20/08/11/655200811.db2.gz YDTUMUMICMXQLX-UHFFFAOYSA-N 1 1 381.230 2.715 20 30 GFEDMO C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181068941 655332048 /nfs/dbraw/zinc/33/20/48/655332048.db2.gz ZVTHXEZXYVEXLI-SJORKVTESA-N 1 1 388.265 2.513 20 30 GFEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181068941 655332050 /nfs/dbraw/zinc/33/20/50/655332050.db2.gz ZVTHXEZXYVEXLI-SJORKVTESA-N 1 1 388.265 2.513 20 30 GFEDMO C[NH+]=C(NCc1cc(F)ccc1Br)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261948097 655443190 /nfs/dbraw/zinc/44/31/90/655443190.db2.gz GMBQTBFNRUHWDW-BDJLRTHQSA-N 1 1 383.309 2.736 20 30 GFEDMO C#CCNC(=O)C1CC[NH+](CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000735490910 655647980 /nfs/dbraw/zinc/64/79/80/655647980.db2.gz VCNPTOVXUNBBME-XMMPIXPASA-N 1 1 387.332 2.562 20 30 GFEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1 ZINC000749657496 655806320 /nfs/dbraw/zinc/80/63/20/655806320.db2.gz XWYWQWVHECACGT-QGZVFWFLSA-N 1 1 380.275 2.654 20 30 GFEDMO CCc1[nH+]c(CN=Nc2ncnc3c2c(Br)nn3C)c2ccccn21 ZINC000755682287 655887212 /nfs/dbraw/zinc/88/72/12/655887212.db2.gz DDVWGQRPNKNEPU-UHFFFAOYSA-N 1 1 399.256 2.782 20 30 GFEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1c(Cl)oc2ccccc21 ZINC000761251784 656005182 /nfs/dbraw/zinc/00/51/82/656005182.db2.gz HXWLVVROEDJFMR-UHFFFAOYSA-N 1 1 380.901 2.607 20 30 GFEDMO FC(F)Sc1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000781578313 657064633 /nfs/dbraw/zinc/06/46/33/657064633.db2.gz KLTOXVHAXHCSNU-UHFFFAOYSA-N 1 1 388.509 2.522 20 30 GFEDMO Cn1nc(Br)cc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000787069313 657512151 /nfs/dbraw/zinc/51/21/51/657512151.db2.gz IXDPSLJAOAQWGL-UHFFFAOYSA-N 1 1 388.313 2.762 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000791076199 658057865 /nfs/dbraw/zinc/05/78/65/658057865.db2.gz FPQZLVMKMSJXDJ-MSOLQXFVSA-N 1 1 390.325 2.950 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000791076199 658057882 /nfs/dbraw/zinc/05/78/82/658057882.db2.gz FPQZLVMKMSJXDJ-MSOLQXFVSA-N 1 1 390.325 2.950 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000815860872 660133136 /nfs/dbraw/zinc/13/31/36/660133136.db2.gz FDBGZMZMTVGRKP-UHFFFAOYSA-N 1 1 381.929 2.850 20 30 GFEDMO C#CC[N@@H+](C[C@H](O)CC(=O)OCC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000859139380 662140135 /nfs/dbraw/zinc/14/01/35/662140135.db2.gz GANYDQCJUSUCKM-GDBMZVCRSA-N 1 1 396.281 2.522 20 30 GFEDMO C#CC[N@H+](C[C@H](O)CC(=O)OCC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000859139380 662140137 /nfs/dbraw/zinc/14/01/37/662140137.db2.gz GANYDQCJUSUCKM-GDBMZVCRSA-N 1 1 396.281 2.522 20 30 GFEDMO Cn1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(Br)n1 ZINC000862214695 662273937 /nfs/dbraw/zinc/27/39/37/662273937.db2.gz AHTQKFBXOPWUAN-UHFFFAOYSA-N 1 1 388.313 2.762 20 30 GFEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC000862447592 662288197 /nfs/dbraw/zinc/28/81/97/662288197.db2.gz OUXNDICTOQXUQT-UONOGXRCSA-N 1 1 379.298 2.808 20 30 GFEDMO Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1c(Br)cccc1C#N)C2 ZINC000865903056 662450394 /nfs/dbraw/zinc/45/03/94/662450394.db2.gz CJKGWANLLLMHGJ-ZDUSSCGKSA-N 1 1 375.270 2.787 20 30 GFEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](COC)c1cccc(Br)c1 ZINC000879662546 662934796 /nfs/dbraw/zinc/93/47/96/662934796.db2.gz CTJJSLYZVPDNSH-BBRMVZONSA-N 1 1 382.302 2.734 20 30 GFEDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883092131 663048719 /nfs/dbraw/zinc/04/87/19/663048719.db2.gz GTRAIZUTOLYORG-UHFFFAOYSA-N 1 1 377.246 2.823 20 30 GFEDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Br)c(C#N)n3)CC[C@H]21 ZINC000883097427 663048907 /nfs/dbraw/zinc/04/89/07/663048907.db2.gz KCDZXGHTTIMMPQ-SMDDNHRTSA-N 1 1 378.274 2.664 20 30 GFEDMO C[C@](O)(C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)C(F)F ZINC000886100601 663103200 /nfs/dbraw/zinc/10/32/00/663103200.db2.gz SDWHPQTVDYCCIN-HOCLYGCPSA-N 1 1 388.256 2.647 20 30 GFEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Nc2nc(Cl)c(C#N)s2)C[C@H](C)O1 ZINC000888411071 663195500 /nfs/dbraw/zinc/19/55/00/663195500.db2.gz LTQAQPIYMKZOHF-TUAOUCFPSA-N 1 1 383.905 2.774 20 30 GFEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Nc2nc(Cl)c(C#N)s2)C[C@H](C)O1 ZINC000888411071 663195502 /nfs/dbraw/zinc/19/55/02/663195502.db2.gz LTQAQPIYMKZOHF-TUAOUCFPSA-N 1 1 383.905 2.774 20 30 GFEDMO N#CCOc1ccc(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)cc1 ZINC000894245830 663450609 /nfs/dbraw/zinc/45/06/09/663450609.db2.gz FGADAKGBAUFLAA-UHFFFAOYSA-N 1 1 378.885 2.825 20 30 GFEDMO COc1ccc(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)cc1C#N ZINC000894359669 663457599 /nfs/dbraw/zinc/45/75/99/663457599.db2.gz SOMYYQSGBBBGSC-UHFFFAOYSA-N 1 1 378.885 2.803 20 30 GFEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)S(=O)(=O)CC3(CC#N)CC3)C2)s1 ZINC000907347475 664026964 /nfs/dbraw/zinc/02/69/64/664026964.db2.gz ROHMODQPFJENHK-MRXNPFEDSA-N 1 1 381.567 2.834 20 30 GFEDMO Cc1[nH+]c(C=Nn2cnc3ccc(Br)cc3c2=O)c2ccccn12 ZINC000914599273 664412754 /nfs/dbraw/zinc/41/27/54/664412754.db2.gz DDSPFPJWNAWHRF-UHFFFAOYSA-N 1 1 382.221 2.997 20 30 GFEDMO N#Cc1ccc(Br)c(C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000921916051 664576137 /nfs/dbraw/zinc/57/61/37/664576137.db2.gz ALSIBOBDZKVQBB-ZDUSSCGKSA-N 1 1 390.203 2.964 20 30 GFEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3snc(Cl)c3C#N)C2)CC[N@H+]1C ZINC001047568629 665077238 /nfs/dbraw/zinc/07/72/38/665077238.db2.gz BJZHLVZIXHWGNS-YVECIDJPSA-N 1 1 381.933 2.705 20 30 GFEDMO COc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(F)cc1C#N ZINC001164837128 720592885 /nfs/dbraw/zinc/59/28/85/720592885.db2.gz HETUQBSWSROIIB-JENIJYKNSA-N 1 1 398.486 2.675 20 30 GFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(CC#N)ccn1)CC2 ZINC001164784371 721463662 /nfs/dbraw/zinc/46/36/62/721463662.db2.gz HQXIRLGZVBDBFF-NRFANRHFSA-N 1 1 398.551 2.882 20 30 GFEDMO Cc1ccc([C@@H](C#N)c2ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nn2)cc1 ZINC001165037910 721901993 /nfs/dbraw/zinc/90/19/93/721901993.db2.gz NRVXTBQYRDTOKC-VQTJNVASSA-N 1 1 377.492 2.742 20 30 GFEDMO N#Cc1c(Cl)ccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979943 722107100 /nfs/dbraw/zinc/10/71/00/722107100.db2.gz IMHYKRXIIWXIFB-LPHOPBHVSA-N 1 1 383.883 2.729 20 30 GFEDMO N#Cc1c(Cl)ccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979946 722107176 /nfs/dbraw/zinc/10/71/76/722107176.db2.gz IMHYKRXIIWXIFB-VQIMIIECSA-N 1 1 383.883 2.729 20 30 GFEDMO N#Cc1cc(Cl)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977329 722111326 /nfs/dbraw/zinc/11/13/26/722111326.db2.gz MOAPSMWKGPGQSB-QFBILLFUSA-N 1 1 383.883 2.729 20 30 GFEDMO CC[N@H+](CCOc1ccc(Br)cc1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000129724369 551359345 /nfs/dbraw/zinc/35/93/45/551359345.db2.gz WFNUPHOWBGLDOA-SFHVURJKSA-N 1 1 394.313 2.958 20 30 GFEDMO CC[N@@H+](CCOc1ccc(Br)cc1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000129724369 551359347 /nfs/dbraw/zinc/35/93/47/551359347.db2.gz WFNUPHOWBGLDOA-SFHVURJKSA-N 1 1 394.313 2.958 20 30 GFEDMO C=CC[N@@H+](CCC(=O)N1CCOCC1)Cc1cc(Br)ccc1F ZINC000159553505 551567023 /nfs/dbraw/zinc/56/70/23/551567023.db2.gz REXTXWQECZXVGR-UHFFFAOYSA-N 1 1 385.277 2.825 20 30 GFEDMO C=CC[N@H+](CCC(=O)N1CCOCC1)Cc1cc(Br)ccc1F ZINC000159553505 551567025 /nfs/dbraw/zinc/56/70/25/551567025.db2.gz REXTXWQECZXVGR-UHFFFAOYSA-N 1 1 385.277 2.825 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000171536666 551657503 /nfs/dbraw/zinc/65/75/03/551657503.db2.gz KNMQIQFLGACZRW-UHFFFAOYSA-N 1 1 377.279 2.517 20 30 GFEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177659689 552156282 /nfs/dbraw/zinc/15/62/82/552156282.db2.gz KJTRRMGIYGPXOL-GFCCVEGCSA-N 1 1 375.416 2.539 20 30 GFEDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2C#N)[C@@H]1c1ccccc1 ZINC000178947329 552180190 /nfs/dbraw/zinc/18/01/90/552180190.db2.gz TXHSBWDEOFSVPV-WMZOPIPTSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2C#N)[C@@H]1c1ccccc1 ZINC000178947329 552180192 /nfs/dbraw/zinc/18/01/92/552180192.db2.gz TXHSBWDEOFSVPV-WMZOPIPTSA-N 1 1 375.881 2.935 20 30 GFEDMO C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000184525780 552337576 /nfs/dbraw/zinc/33/75/76/552337576.db2.gz BHFOOTJWAMLHMG-OAHLLOKOSA-N 1 1 375.881 2.893 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(F)cc1 ZINC000186371235 552386521 /nfs/dbraw/zinc/38/65/21/552386521.db2.gz XKFDUYUOZGTUBX-INIZCTEOSA-N 1 1 381.860 2.932 20 30 GFEDMO COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000190461510 552497097 /nfs/dbraw/zinc/49/70/97/552497097.db2.gz NVIKUCRKKMJVPA-GTNSWQLSSA-N 1 1 380.286 2.917 20 30 GFEDMO C[C@@](C#N)(NC(=O)C[NH2+][C@H]1CCOc2c(Br)cccc21)C1CC1 ZINC000282157740 563399408 /nfs/dbraw/zinc/39/94/08/563399408.db2.gz UAHYTBSXTHVYDB-YOEHRIQHSA-N 1 1 378.270 2.671 20 30 GFEDMO C[C@](C#N)(NC(=O)C[NH2+][C@H]1CCOc2c(Br)cccc21)C1CC1 ZINC000282157734 563399523 /nfs/dbraw/zinc/39/95/23/563399523.db2.gz UAHYTBSXTHVYDB-WMLDXEAASA-N 1 1 378.270 2.671 20 30 GFEDMO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329227030 563475676 /nfs/dbraw/zinc/47/56/76/563475676.db2.gz HVUZUBXJAWOREO-CVEARBPZSA-N 1 1 385.917 2.592 20 30 GFEDMO N#CCCN(C(=O)C[N@@H+](CCO)[C@H]1CCCSC1)c1cccc(Cl)c1 ZINC000433199918 563606540 /nfs/dbraw/zinc/60/65/40/563606540.db2.gz FLISMCVCYWPSMH-KRWDZBQOSA-N 1 1 381.929 2.777 20 30 GFEDMO N#CCCN(C(=O)C[N@H+](CCO)[C@H]1CCCSC1)c1cccc(Cl)c1 ZINC000433199918 563606541 /nfs/dbraw/zinc/60/65/41/563606541.db2.gz FLISMCVCYWPSMH-KRWDZBQOSA-N 1 1 381.929 2.777 20 30 GFEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000333564805 563636129 /nfs/dbraw/zinc/63/61/29/563636129.db2.gz OQWJLSMBVAOCFM-WMLDXEAASA-N 1 1 392.297 2.642 20 30 GFEDMO CCOCC[N@@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@H]1C ZINC000449881602 564207977 /nfs/dbraw/zinc/20/79/77/564207977.db2.gz FLFJTOQFQZJBFF-CYBMUJFWSA-N 1 1 380.286 2.504 20 30 GFEDMO CCOCC[N@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@H]1C ZINC000449881602 564207980 /nfs/dbraw/zinc/20/79/80/564207980.db2.gz FLFJTOQFQZJBFF-CYBMUJFWSA-N 1 1 380.286 2.504 20 30 GFEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449989368 564212359 /nfs/dbraw/zinc/21/23/59/564212359.db2.gz OTNBSUZYDARTKG-CQSZACIVSA-N 1 1 394.313 2.890 20 30 GFEDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450053909 564215754 /nfs/dbraw/zinc/21/57/54/564215754.db2.gz UKEZMIKZMZAFRU-LSDHHAIUSA-N 1 1 392.297 2.785 20 30 GFEDMO C[N@H+]1CCC[C@H]2CN(C(=O)COc3cccc(Br)c3C#N)CC[C@H]21 ZINC000450144998 564219186 /nfs/dbraw/zinc/21/91/86/564219186.db2.gz HUSQBJLAYHBJOY-XJKSGUPXSA-N 1 1 392.297 2.642 20 30 GFEDMO N#Cc1cc(Br)cnc1NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000450242064 564223901 /nfs/dbraw/zinc/22/39/01/564223901.db2.gz NQBRERAXFLMGHE-QGZVFWFLSA-N 1 1 387.281 2.547 20 30 GFEDMO Cc1cc(N(CCC#N)C(=O)CSC[C@@H]2C[N@H+](C)CCO2)ccc1Cl ZINC000564957785 564258914 /nfs/dbraw/zinc/25/89/14/564258914.db2.gz DCTYMSDYGRLPEW-INIZCTEOSA-N 1 1 381.929 2.959 20 30 GFEDMO Cc1cc(N(CCC#N)C(=O)CSC[C@@H]2C[N@@H+](C)CCO2)ccc1Cl ZINC000564957785 564258917 /nfs/dbraw/zinc/25/89/17/564258917.db2.gz DCTYMSDYGRLPEW-INIZCTEOSA-N 1 1 381.929 2.959 20 30 GFEDMO N#CCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(Cl)c1 ZINC000451274788 564293698 /nfs/dbraw/zinc/29/36/98/564293698.db2.gz XSCXAXNIZGGAQU-INIZCTEOSA-N 1 1 381.929 2.949 20 30 GFEDMO CCC[N@@H+](C)[C@@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)c1ccc(Cl)cc1 ZINC000509619233 564305857 /nfs/dbraw/zinc/30/58/57/564305857.db2.gz QBBPYBRJEOJCQL-YOEHRIQHSA-N 1 1 386.949 2.791 20 30 GFEDMO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc(C#N)c(Br)c2)C[C@H](C)O1 ZINC000487966042 564701057 /nfs/dbraw/zinc/70/10/57/564701057.db2.gz HPIPQYRAVYDVGB-BETUJISGSA-N 1 1 395.301 2.942 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)NCCC[NH+]1CCOCC1 ZINC000459725241 564758618 /nfs/dbraw/zinc/75/86/18/564758618.db2.gz ZLYOSNHHEVMWQI-UHFFFAOYSA-N 1 1 398.301 2.858 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cc(Cl)cc3c2OCC3)cc1 ZINC000563013718 565052165 /nfs/dbraw/zinc/05/21/65/565052165.db2.gz LLXJCHFESGWNQV-UHFFFAOYSA-N 1 1 376.865 2.710 20 30 GFEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639162442 565230059 /nfs/dbraw/zinc/23/00/59/565230059.db2.gz RVYFVWCXEMTKJM-UHFFFAOYSA-N 1 1 384.885 2.651 20 30 GFEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639162442 565230062 /nfs/dbraw/zinc/23/00/62/565230062.db2.gz RVYFVWCXEMTKJM-UHFFFAOYSA-N 1 1 384.885 2.651 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640053843 565276980 /nfs/dbraw/zinc/27/69/80/565276980.db2.gz JBVGZUHDDCRBPD-KCQAQPDRSA-N 1 1 376.444 2.754 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640053843 565276984 /nfs/dbraw/zinc/27/69/84/565276984.db2.gz JBVGZUHDDCRBPD-KCQAQPDRSA-N 1 1 376.444 2.754 20 30 GFEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593101665 565314240 /nfs/dbraw/zinc/31/42/40/565314240.db2.gz QYWAKGLJYVCSSU-RHSMWYFYSA-N 1 1 376.298 2.806 20 30 GFEDMO C=CC[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)[C@H](C)COC ZINC000661243739 565316236 /nfs/dbraw/zinc/31/62/36/565316236.db2.gz MIMZRVNPDHSZGZ-GFCCVEGCSA-N 1 1 375.332 2.992 20 30 GFEDMO C=CC[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)[C@H](C)COC ZINC000661243739 565316244 /nfs/dbraw/zinc/31/62/44/565316244.db2.gz MIMZRVNPDHSZGZ-GFCCVEGCSA-N 1 1 375.332 2.992 20 30 GFEDMO C=CC[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C(C)(C)C ZINC000661756279 565338029 /nfs/dbraw/zinc/33/80/29/565338029.db2.gz ILMZRBDGNFZALI-UHFFFAOYSA-N 1 1 382.302 2.790 20 30 GFEDMO CN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccsc1C#N ZINC000593557197 565340627 /nfs/dbraw/zinc/34/06/27/565340627.db2.gz OHKFKJJIEXRHCA-INIZCTEOSA-N 1 1 375.519 2.905 20 30 GFEDMO CN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccsc1C#N ZINC000593557197 565340629 /nfs/dbraw/zinc/34/06/29/565340629.db2.gz OHKFKJJIEXRHCA-INIZCTEOSA-N 1 1 375.519 2.905 20 30 GFEDMO N#CCc1ccccc1S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000619572354 565349710 /nfs/dbraw/zinc/34/97/10/565349710.db2.gz YNPLSPPONLWOLH-MRXNPFEDSA-N 1 1 375.519 2.930 20 30 GFEDMO C[C@H](O)C[N@H+]1CCN(c2c(C#N)cnc3c(Br)cccc32)C[C@@H]1C ZINC000619651190 565353787 /nfs/dbraw/zinc/35/37/87/565353787.db2.gz WAKPYFRVTMAIHV-STQMWFEESA-N 1 1 389.297 2.760 20 30 GFEDMO N#CC1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCCC1 ZINC000594982015 565440130 /nfs/dbraw/zinc/44/01/30/565440130.db2.gz WUNNDPRDMTUTQS-UHFFFAOYSA-N 1 1 386.315 2.660 20 30 GFEDMO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)cc1 ZINC000595828186 565492075 /nfs/dbraw/zinc/49/20/75/565492075.db2.gz IPPNSZNYSLFPEB-SUMWQHHRSA-N 1 1 381.259 2.928 20 30 GFEDMO N#Cc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)ncc1Br ZINC000603268586 565893641 /nfs/dbraw/zinc/89/36/41/565893641.db2.gz IFIQBLKEHKRNHT-UHFFFAOYSA-N 1 1 387.281 2.582 20 30 GFEDMO COC(=O)CC[N@@H+](Cc1ccc(C#N)cc1Br)C[C@@H]1CCCO1 ZINC000611500855 566133528 /nfs/dbraw/zinc/13/35/28/566133528.db2.gz IYLUFBGGWBSGAI-HNNXBMFYSA-N 1 1 381.270 2.865 20 30 GFEDMO COC(=O)CC[N@H+](Cc1ccc(C#N)cc1Br)C[C@@H]1CCCO1 ZINC000611500855 566133532 /nfs/dbraw/zinc/13/35/32/566133532.db2.gz IYLUFBGGWBSGAI-HNNXBMFYSA-N 1 1 381.270 2.865 20 30 GFEDMO CCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821087396 607363796 /nfs/dbraw/zinc/36/37/96/607363796.db2.gz AYVIWNBNWQSCCC-UHFFFAOYSA-N 1 1 393.451 2.799 20 30 GFEDMO CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821087396 607363797 /nfs/dbraw/zinc/36/37/97/607363797.db2.gz AYVIWNBNWQSCCC-UHFFFAOYSA-N 1 1 393.451 2.799 20 30 GFEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000822842743 606964654 /nfs/dbraw/zinc/96/46/54/606964654.db2.gz WMDPFUUGOGHVHK-UHFFFAOYSA-N 1 1 377.427 2.590 20 30 GFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000824035195 608852901 /nfs/dbraw/zinc/85/29/01/608852901.db2.gz SZQIAGWBCWJGDE-YWZLYKJASA-N 1 1 390.447 2.731 20 30 GFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000824035195 608852903 /nfs/dbraw/zinc/85/29/03/608852903.db2.gz SZQIAGWBCWJGDE-YWZLYKJASA-N 1 1 390.447 2.731 20 30 GFEDMO C#C[C@H](NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(Br)cc1 ZINC000836359323 660901597 /nfs/dbraw/zinc/90/15/97/660901597.db2.gz WJFPZENWOTWDRY-DQYPLSBCSA-N 1 1 376.298 2.905 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000836443655 660906062 /nfs/dbraw/zinc/90/60/62/660906062.db2.gz IOVPUKFWELNKLV-OAHLLOKOSA-N 1 1 380.286 2.527 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000836488837 660910474 /nfs/dbraw/zinc/91/04/74/660910474.db2.gz OZRIUBPYIFZZNZ-UHFFFAOYSA-N 1 1 382.277 2.611 20 30 GFEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000123199561 654752935 /nfs/dbraw/zinc/75/29/35/654752935.db2.gz APRFHRCETHMHKQ-ZFWWWQNUSA-N 1 1 382.302 2.822 20 30 GFEDMO C=C(Br)CNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC ZINC000171198883 655149769 /nfs/dbraw/zinc/14/97/69/655149769.db2.gz ZKVZCEQTVOCDHI-MRXNPFEDSA-N 1 1 381.318 2.986 20 30 GFEDMO N#Cc1cc(S(=O)(=O)NC2CC[NH+](Cc3ccsc3)CC2)ccc1F ZINC000115586620 655239620 /nfs/dbraw/zinc/23/96/20/655239620.db2.gz OCRYMLVUUJDLJZ-UHFFFAOYSA-N 1 1 379.482 2.702 20 30 GFEDMO C#CCO[C@H](C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000839943700 661119677 /nfs/dbraw/zinc/11/96/77/661119677.db2.gz YDZLUZKQPUKGTJ-CQSZACIVSA-N 1 1 379.298 2.568 20 30 GFEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2cccc(Br)c2C#N)CC1 ZINC000576873459 655453670 /nfs/dbraw/zinc/45/36/70/655453670.db2.gz VGYMMQGMSQHXGG-UHFFFAOYSA-N 1 1 393.329 2.701 20 30 GFEDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2cccc(Br)c2C#N)CC1 ZINC000576873459 655453671 /nfs/dbraw/zinc/45/36/71/655453671.db2.gz VGYMMQGMSQHXGG-UHFFFAOYSA-N 1 1 393.329 2.701 20 30 GFEDMO C[NH+](C)CCN1CCC(CNC(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000726480843 655535447 /nfs/dbraw/zinc/53/54/47/655535447.db2.gz NRVMIAQULHNMGZ-UHFFFAOYSA-N 1 1 379.961 2.772 20 30 GFEDMO C#CCNC(=O)C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000754952808 655876875 /nfs/dbraw/zinc/87/68/75/655876875.db2.gz NYEOGYVQBUCQOZ-LLVKDONJSA-N 1 1 378.295 2.973 20 30 GFEDMO CCSc1ccccc1C(C)=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000759647182 655960862 /nfs/dbraw/zinc/96/08/62/655960862.db2.gz VUVDMBHQYKOFSQ-UHFFFAOYSA-N 1 1 380.583 2.709 20 30 GFEDMO S=C(NCCC[NH+]1CCOCC1)NN=C1CCCc2ccc(Cl)cc21 ZINC000761253039 656005195 /nfs/dbraw/zinc/00/51/95/656005195.db2.gz MSSMSYZRFYRVMX-UHFFFAOYSA-N 1 1 380.945 2.567 20 30 GFEDMO C#CCCN1CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000776596326 656764400 /nfs/dbraw/zinc/76/44/00/656764400.db2.gz YOPXXXORMKKTGK-UHFFFAOYSA-N 1 1 398.288 2.701 20 30 GFEDMO C=CCOc1c(Br)cc(C=NNC2=[NH+]C[C@@H](C)N2)cc1OCC ZINC000779791730 656943159 /nfs/dbraw/zinc/94/31/59/656943159.db2.gz LAUMTULFRQQQPK-LLVKDONJSA-N 1 1 381.274 2.684 20 30 GFEDMO N#Cc1ccc([C@H](O)C[N@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000792483496 658287933 /nfs/dbraw/zinc/28/79/33/658287933.db2.gz ADPDNGIHPNOUFA-OAHLLOKOSA-N 1 1 381.295 2.910 20 30 GFEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@@H](O)c3ccccc3Br)C2)nc1 ZINC000794832715 658619479 /nfs/dbraw/zinc/61/94/79/658619479.db2.gz MUCPDJQZQDGROW-RHSMWYFYSA-N 1 1 388.265 2.902 20 30 GFEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H](O)c3ccccc3Br)C2)nc1 ZINC000794832715 658619496 /nfs/dbraw/zinc/61/94/96/658619496.db2.gz MUCPDJQZQDGROW-RHSMWYFYSA-N 1 1 388.265 2.902 20 30 GFEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC000848923607 661688684 /nfs/dbraw/zinc/68/86/84/661688684.db2.gz GZPDIQGYAIJRCJ-KBPBESRZSA-N 1 1 379.298 2.808 20 30 GFEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC000848923607 661688685 /nfs/dbraw/zinc/68/86/85/661688685.db2.gz GZPDIQGYAIJRCJ-KBPBESRZSA-N 1 1 379.298 2.808 20 30 GFEDMO N#Cc1cnc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(Br)c1 ZINC000882172169 663019512 /nfs/dbraw/zinc/01/95/12/663019512.db2.gz VLWIDEHDOYJKRI-MRXNPFEDSA-N 1 1 387.281 2.894 20 30 GFEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885284700 663088297 /nfs/dbraw/zinc/08/82/97/663088297.db2.gz XQOFAEIYZBIIMC-HRDYMLBCSA-N 1 1 380.279 2.710 20 30 GFEDMO C=CCOc1ccc(C[NH2+]Cc2cn(C)nc2I)cc1 ZINC000894739846 663478357 /nfs/dbraw/zinc/47/83/57/663478357.db2.gz UHTUKHFJGDFCKI-UHFFFAOYSA-N 1 1 383.233 2.879 20 30 GFEDMO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cc(C#N)ccc1Br ZINC000897990768 663629297 /nfs/dbraw/zinc/62/92/97/663629297.db2.gz YTFZPIRNLKEDMQ-CQSZACIVSA-N 1 1 389.253 2.929 20 30 GFEDMO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000921728612 664564667 /nfs/dbraw/zinc/56/46/67/664564667.db2.gz BTDHKHXPNNAJQV-GFCCVEGCSA-N 1 1 376.176 2.574 20 30 GFEDMO Cc1csc(C[C@H]2CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)n1 ZINC000933133502 664850599 /nfs/dbraw/zinc/85/05/99/664850599.db2.gz ICLJPODBFDOSQB-MRXNPFEDSA-N 1 1 375.519 2.662 20 30 GFEDMO Cc1csc(C[C@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)n1 ZINC000933133502 664850600 /nfs/dbraw/zinc/85/06/00/664850600.db2.gz ICLJPODBFDOSQB-MRXNPFEDSA-N 1 1 375.519 2.662 20 30 GFEDMO N#Cc1cnc(Cl)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696152 719889038 /nfs/dbraw/zinc/88/90/38/719889038.db2.gz ZVPALPVREBAAQZ-UHFFFAOYSA-N 1 1 389.912 2.935 20 30 GFEDMO N#Cc1cnc(Cl)nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696152 719889039 /nfs/dbraw/zinc/88/90/39/719889039.db2.gz ZVPALPVREBAAQZ-UHFFFAOYSA-N 1 1 389.912 2.935 20 30 GFEDMO N#Cc1ccc([N+](=O)[O-])c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164694865 719892115 /nfs/dbraw/zinc/89/21/15/719892115.db2.gz FVUWOLCTRSHVMV-UHFFFAOYSA-N 1 1 399.476 2.794 20 30 GFEDMO N#Cc1ccc([N+](=O)[O-])c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164694865 719892116 /nfs/dbraw/zinc/89/21/16/719892116.db2.gz FVUWOLCTRSHVMV-UHFFFAOYSA-N 1 1 399.476 2.794 20 30 GFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(F)c1C#N)CC2 ZINC001164716277 720125692 /nfs/dbraw/zinc/12/56/92/720125692.db2.gz KEJCZLNAQWFCQY-GOSISDBHSA-N 1 1 395.482 2.995 20 30 GFEDMO CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164724890 720327390 /nfs/dbraw/zinc/32/73/90/720327390.db2.gz LKJDRGOSOGIPCO-CABCVRRESA-N 1 1 386.912 2.972 20 30 GFEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(Cl)nc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840625 720519310 /nfs/dbraw/zinc/51/93/10/720519310.db2.gz WYLJUYUIQYUCOQ-YQQAZPJKSA-N 1 1 385.903 2.576 20 30 GFEDMO Cc1cnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C#N)n1 ZINC001164839361 720709099 /nfs/dbraw/zinc/70/90/99/720709099.db2.gz LKUHKNFQPVWUBB-LJQANCHMSA-N 1 1 377.492 2.917 20 30 GFEDMO N#Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164751159 720813310 /nfs/dbraw/zinc/81/33/10/720813310.db2.gz XEPMGONRCOHDHR-JENIJYKNSA-N 1 1 397.914 2.578 20 30 GFEDMO N#Cc1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742187 720813813 /nfs/dbraw/zinc/81/38/13/720813813.db2.gz CLFDLTJWOUORFB-RYQLBKOJSA-N 1 1 397.914 2.578 20 30 GFEDMO N#Cc1c(Cl)ccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743317 720818741 /nfs/dbraw/zinc/81/87/41/720818741.db2.gz SDSBIZGSWCNFOE-TXPKVOOTSA-N 1 1 397.914 2.578 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(C5(C#N)CCC5)cn4)C[C@H]3C2)cn1 ZINC001164762208 721129920 /nfs/dbraw/zinc/12/99/20/721129920.db2.gz CNYMDOZLUKUGPI-RBUKOAKNSA-N 1 1 376.508 2.719 20 30 GFEDMO N#Cc1c2c(cnc1N1CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C1)CCCC2 ZINC001164866672 721190538 /nfs/dbraw/zinc/19/05/38/721190538.db2.gz BSGZDWHKOYTZPR-WOJBJXKFSA-N 1 1 389.503 2.707 20 30 GFEDMO C=CCOc1cc(C)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164910285 721535688 /nfs/dbraw/zinc/53/56/88/721535688.db2.gz UBBSISOZSBDZKQ-PKOBYXMFSA-N 1 1 384.455 2.831 20 30 GFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)cc2C#N)[C@@H]2CCCO[C@@H]12 ZINC001164798578 721570037 /nfs/dbraw/zinc/57/00/37/721570037.db2.gz BNHZLNOWFCFGIZ-GUDVDZBRSA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)cc2C#N)[C@@H]2CCCO[C@@H]12 ZINC001164798578 721570038 /nfs/dbraw/zinc/57/00/38/721570038.db2.gz BNHZLNOWFCFGIZ-GUDVDZBRSA-N 1 1 383.883 2.870 20 30 GFEDMO N#Cc1c(Cl)ncnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961267 722054080 /nfs/dbraw/zinc/05/40/80/722054080.db2.gz WWNPQODARWXZNN-UHFFFAOYSA-N 1 1 398.898 2.516 20 30 GFEDMO N#Cc1cnc2cc[nH]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c1-2 ZINC001164983347 722135588 /nfs/dbraw/zinc/13/55/88/722135588.db2.gz UNHMSIBMRQNQNQ-FXAWDEMLSA-N 1 1 388.475 2.557 20 30 GFEDMO COc1ccc([C@H](CNS(=O)(=O)c2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000023994255 207285575 /nfs/dbraw/zinc/28/55/75/207285575.db2.gz VEWWCSIGHWFKOZ-FQEVSTJZSA-N 1 1 385.489 2.682 20 30 GFEDMO N#C[C@@H](NC(=O)CCCC[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000171770342 551663581 /nfs/dbraw/zinc/66/35/81/551663581.db2.gz LRTGEFPYKOHHGX-MRXNPFEDSA-N 1 1 380.286 2.632 20 30 GFEDMO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000181185448 552249282 /nfs/dbraw/zinc/24/92/82/552249282.db2.gz WRALVIKMOLQROC-QGZVFWFLSA-N 1 1 389.297 3.000 20 30 GFEDMO C=CCOc1c(Br)cc(CN2CC[N@@H+](CCO)[C@H](C)C2)cc1OC ZINC000190242781 552490872 /nfs/dbraw/zinc/49/08/72/552490872.db2.gz GWWAWXVMBIISQN-CQSZACIVSA-N 1 1 399.329 2.521 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000297988247 563341359 /nfs/dbraw/zinc/34/13/59/563341359.db2.gz ZTZHGBUNABIGSV-AWEZNQCLSA-N 1 1 383.945 2.716 20 30 GFEDMO COC(=O)[C@@H]1C[N@@H+](CCOCCC#N)C[C@H]1c1ccc(Br)cc1 ZINC000425506087 563425324 /nfs/dbraw/zinc/42/53/24/563425324.db2.gz CSXAFKYSTSMZIL-JKSUJKDBSA-N 1 1 381.270 2.568 20 30 GFEDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1cccc(Cl)c1 ZINC000376273840 563436028 /nfs/dbraw/zinc/43/60/28/563436028.db2.gz MILCHHUKJNUZNA-DYVFJYSZSA-N 1 1 379.869 2.776 20 30 GFEDMO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1COc2cc(F)c(Br)cc21 ZINC000328814863 563465778 /nfs/dbraw/zinc/46/57/78/563465778.db2.gz NNEVVJOKBWCKRD-RNCFNFMXSA-N 1 1 395.232 2.737 20 30 GFEDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000329011392 563469918 /nfs/dbraw/zinc/46/99/18/563469918.db2.gz DSAYWBVGIKLZNK-CABCVRRESA-N 1 1 395.301 2.771 20 30 GFEDMO Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000329251138 563476642 /nfs/dbraw/zinc/47/66/42/563476642.db2.gz XXYUGDOWCJWXPG-UHFFFAOYSA-N 1 1 395.305 2.921 20 30 GFEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)[C@@H](C)C1 ZINC000330581898 563511787 /nfs/dbraw/zinc/51/17/87/563511787.db2.gz QTUBGWIQIGZVND-VHSXEESVSA-N 1 1 392.244 2.660 20 30 GFEDMO CN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)s1 ZINC000388568767 563521121 /nfs/dbraw/zinc/52/11/21/563521121.db2.gz CBQCOXJZRQKAGV-MRXNPFEDSA-N 1 1 375.519 2.905 20 30 GFEDMO CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)s1 ZINC000388568767 563521123 /nfs/dbraw/zinc/52/11/23/563521123.db2.gz CBQCOXJZRQKAGV-MRXNPFEDSA-N 1 1 375.519 2.905 20 30 GFEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cccc(C#N)c1Br ZINC000331304913 563545364 /nfs/dbraw/zinc/54/53/64/563545364.db2.gz FUPHKHSGGIGQAF-ZDUSSCGKSA-N 1 1 379.302 2.651 20 30 GFEDMO Cc1nc(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c(Br)s1 ZINC000331358428 563547132 /nfs/dbraw/zinc/54/71/32/563547132.db2.gz VEMRMUCIUPHCEH-LLVKDONJSA-N 1 1 376.320 2.875 20 30 GFEDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc(C#N)c2Br)CCCO1 ZINC000331586294 563554479 /nfs/dbraw/zinc/55/44/79/563554479.db2.gz XPWAUTBCJRRCDJ-CYBMUJFWSA-N 1 1 380.286 2.551 20 30 GFEDMO C=CCn1c(SC[C@@H](O)C[N@H+](C)C2CC2)nc2cc(Cl)ccc2c1=O ZINC000290734154 563720037 /nfs/dbraw/zinc/72/00/37/563720037.db2.gz GHTPGTCTZPWXQD-AWEZNQCLSA-N 1 1 379.913 2.783 20 30 GFEDMO C[N@@H+](CCc1cccc(Br)c1)CC(=O)N(CCC#N)CCC#N ZINC000291269834 563736686 /nfs/dbraw/zinc/73/66/86/563736686.db2.gz PLJHYTCXQDUJJF-UHFFFAOYSA-N 1 1 377.286 2.579 20 30 GFEDMO CN(Cc1ccc(C#N)cc1Br)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364866903 563766456 /nfs/dbraw/zinc/76/64/56/563766456.db2.gz BASDWUVQOLHUBY-SFHVURJKSA-N 1 1 391.357 2.921 20 30 GFEDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449794757 564202270 /nfs/dbraw/zinc/20/22/70/564202270.db2.gz KNZMOUJFWPSQDQ-GFCCVEGCSA-N 1 1 391.269 2.657 20 30 GFEDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000450929519 564256262 /nfs/dbraw/zinc/25/62/62/564256262.db2.gz JQKNKXUZGVMFJM-CQSZACIVSA-N 1 1 380.286 2.689 20 30 GFEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CSC[C@H]1C[N@H+](C)CCO1 ZINC000564957765 564259220 /nfs/dbraw/zinc/25/92/20/564259220.db2.gz BXIFWGCGLBSSBH-HUUCEWRRSA-N 1 1 379.551 2.941 20 30 GFEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CSC[C@H]1C[N@@H+](C)CCO1 ZINC000564957765 564259226 /nfs/dbraw/zinc/25/92/26/564259226.db2.gz BXIFWGCGLBSSBH-HUUCEWRRSA-N 1 1 379.551 2.941 20 30 GFEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000543552698 564354190 /nfs/dbraw/zinc/35/41/90/564354190.db2.gz APTBQGIQXYGEBA-CQSZACIVSA-N 1 1 398.320 2.739 20 30 GFEDMO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Br)cn1 ZINC000482978087 564555036 /nfs/dbraw/zinc/55/50/36/564555036.db2.gz ZAMBQQFFDVCXJS-LBPRGKRZSA-N 1 1 394.294 2.840 20 30 GFEDMO CCN(CCC#N)S(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000548820170 564576784 /nfs/dbraw/zinc/57/67/84/564576784.db2.gz OSVXEPMJVCXRCM-QGZVFWFLSA-N 1 1 384.933 2.547 20 30 GFEDMO C=CCCCNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000455891169 564578643 /nfs/dbraw/zinc/57/86/43/564578643.db2.gz GHXWOHBLWITINE-UHFFFAOYSA-N 1 1 382.306 2.684 20 30 GFEDMO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000484568026 564591330 /nfs/dbraw/zinc/59/13/30/564591330.db2.gz HVOIWDFFCRZMKN-LBPRGKRZSA-N 1 1 388.249 2.753 20 30 GFEDMO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000484568026 564591332 /nfs/dbraw/zinc/59/13/32/564591332.db2.gz HVOIWDFFCRZMKN-LBPRGKRZSA-N 1 1 388.249 2.753 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000553347474 564716529 /nfs/dbraw/zinc/71/65/29/564716529.db2.gz XBDVBRHJSYGZGB-UHFFFAOYSA-N 1 1 383.945 2.907 20 30 GFEDMO Cc1nc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)sc1Br ZINC000580544579 564764286 /nfs/dbraw/zinc/76/42/86/564764286.db2.gz QJKUBHKQVLOOTD-GFCCVEGCSA-N 1 1 382.283 2.615 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(F)cc1 ZINC000557849584 564882042 /nfs/dbraw/zinc/88/20/42/564882042.db2.gz KAONJOSXUPPHOA-INIZCTEOSA-N 1 1 381.860 2.932 20 30 GFEDMO CCCN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CC[N@@H+](C)C1 ZINC000592829687 565299663 /nfs/dbraw/zinc/29/96/63/565299663.db2.gz VLPNHTHHJSSTNP-CYBMUJFWSA-N 1 1 380.286 2.642 20 30 GFEDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccc(Br)cc1C#N)C2 ZINC000597710131 565571031 /nfs/dbraw/zinc/57/10/31/565571031.db2.gz HLYNQPZGWARQNI-SFHVURJKSA-N 1 1 376.298 2.808 20 30 GFEDMO CCN1CCC([N@H+]2CCCN(c3cc(C#N)c(Br)cn3)CC2)CC1 ZINC000603397772 565902159 /nfs/dbraw/zinc/90/21/59/565902159.db2.gz RSYKJYYFQZLEAY-UHFFFAOYSA-N 1 1 392.345 2.712 20 30 GFEDMO CC[NH+]1CCC(N2CCCN(c3cc(C#N)c(Br)cn3)CC2)CC1 ZINC000603397772 565902163 /nfs/dbraw/zinc/90/21/63/565902163.db2.gz RSYKJYYFQZLEAY-UHFFFAOYSA-N 1 1 392.345 2.712 20 30 GFEDMO N#Cc1ccsc1NC(=O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000611682162 566139195 /nfs/dbraw/zinc/13/91/95/566139195.db2.gz CLIDHTBIKFMQIR-CYBMUJFWSA-N 1 1 380.267 2.644 20 30 GFEDMO Cc1oc(NC(=O)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c(C#N)c1C ZINC000822547771 607366142 /nfs/dbraw/zinc/36/61/42/607366142.db2.gz CSHAWNSIXXGVPQ-UHFFFAOYSA-N 1 1 393.451 2.797 20 30 GFEDMO Cc1oc(NC(=O)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c(C#N)c1C ZINC000822547771 607366144 /nfs/dbraw/zinc/36/61/44/607366144.db2.gz CSHAWNSIXXGVPQ-UHFFFAOYSA-N 1 1 393.451 2.797 20 30 GFEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)[C@@H]1CCc2ccccc21 ZINC000735375234 598758023 /nfs/dbraw/zinc/75/80/23/598758023.db2.gz WEKVQOLGSZLSNJ-HXUWFJFHSA-N 1 1 386.459 2.818 20 30 GFEDMO C#CCCOc1ccc(C[N@H+](CCOC)Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000823845448 608566379 /nfs/dbraw/zinc/56/63/79/608566379.db2.gz SLTVLGUASUKAEW-UHFFFAOYSA-N 1 1 391.475 2.917 20 30 GFEDMO N#Cc1ccc2ncc(C[N@H+]3CC=C(c4ccc(-c5nn[nH]n5)cc4)CC3)n2c1 ZINC000826386700 608857862 /nfs/dbraw/zinc/85/78/62/608857862.db2.gz PBGOBFSZLAIPMQ-UHFFFAOYSA-N 1 1 382.431 2.675 20 30 GFEDMO N#Cc1ccc2ncc(C[N@@H+]3CC=C(c4ccc(-c5nn[nH]n5)cc4)CC3)n2c1 ZINC000826386700 608857866 /nfs/dbraw/zinc/85/78/66/608857866.db2.gz PBGOBFSZLAIPMQ-UHFFFAOYSA-N 1 1 382.431 2.675 20 30 GFEDMO C[N@H+](CCOc1ccc(Br)cc1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000007018286 654460260 /nfs/dbraw/zinc/46/02/60/654460260.db2.gz APHLVDALUAGGAM-QGZVFWFLSA-N 1 1 380.286 2.568 20 30 GFEDMO C[N@@H+](CCOc1ccc(Br)cc1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000007018286 654460266 /nfs/dbraw/zinc/46/02/66/654460266.db2.gz APHLVDALUAGGAM-QGZVFWFLSA-N 1 1 380.286 2.568 20 30 GFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1c(Cl)cccc1Cl ZINC000125468930 654795810 /nfs/dbraw/zinc/79/58/10/654795810.db2.gz SYSIPVUGXAPIQN-UHFFFAOYSA-N 1 1 381.267 2.673 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000838622797 661051347 /nfs/dbraw/zinc/05/13/47/661051347.db2.gz NSJPMUKMDYRNRF-UHFFFAOYSA-N 1 1 382.302 2.641 20 30 GFEDMO N#Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1Br ZINC000580035233 655507115 /nfs/dbraw/zinc/50/71/15/655507115.db2.gz NKMQGNRWTVGXHB-JKSUJKDBSA-N 1 1 392.297 2.694 20 30 GFEDMO C=CCn1nnn(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c1=S ZINC000742177346 655711147 /nfs/dbraw/zinc/71/11/47/655711147.db2.gz SJRKAORIJSMNMG-CQSZACIVSA-N 1 1 378.933 2.985 20 30 GFEDMO Brc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc2c1OCCCO2 ZINC000753933191 655861005 /nfs/dbraw/zinc/86/10/05/655861005.db2.gz DBEDMNKNFBEXOG-OKILXGFUSA-N 1 1 393.285 2.804 20 30 GFEDMO Brc1ccc(-n2cc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)cn2)cc1 ZINC000753932990 655861086 /nfs/dbraw/zinc/86/10/86/655861086.db2.gz AGLSOPAPKVOJQR-IYBDPMFKSA-N 1 1 387.285 2.829 20 30 GFEDMO C#CCOCCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000784550197 657316798 /nfs/dbraw/zinc/31/67/98/657316798.db2.gz MWYAGNPOAOALFT-UHFFFAOYSA-N 1 1 384.307 2.907 20 30 GFEDMO C=CCN(C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)C(C)C ZINC000786424097 657428420 /nfs/dbraw/zinc/42/84/20/657428420.db2.gz KMRBNQZJUAODEK-UHFFFAOYSA-N 1 1 382.302 2.872 20 30 GFEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000815049051 660107408 /nfs/dbraw/zinc/10/74/08/660107408.db2.gz WELHTNCBEAVYOO-OAHLLOKOSA-N 1 1 382.245 2.568 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000815861729 660133178 /nfs/dbraw/zinc/13/31/78/660133178.db2.gz WZTBJOMKRCKNGX-UHFFFAOYSA-N 1 1 389.855 2.665 20 30 GFEDMO CC(N=Nc1ncc(Br)cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000848421045 661646484 /nfs/dbraw/zinc/64/64/84/661646484.db2.gz QLSZCRYRHNQMGH-MRXNPFEDSA-N 1 1 390.285 2.928 20 30 GFEDMO CC(N=Nc1ncc(Br)cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000848421045 661646494 /nfs/dbraw/zinc/64/64/94/661646494.db2.gz QLSZCRYRHNQMGH-MRXNPFEDSA-N 1 1 390.285 2.928 20 30 GFEDMO C#CCOc1ccc(Br)cc1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000850396746 661774874 /nfs/dbraw/zinc/77/48/74/661774874.db2.gz OSHQZEBWVQNCAA-SFHVURJKSA-N 1 1 393.325 2.804 20 30 GFEDMO C#CCN(C[C@H](O)C[N@H+](C)C(C)C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000851771411 661831307 /nfs/dbraw/zinc/83/13/07/661831307.db2.gz DOQWWCDJIRDLRJ-SJLPKXTDSA-N 1 1 395.341 2.909 20 30 GFEDMO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ncc(Br)s2)cc1 ZINC000872238992 662758820 /nfs/dbraw/zinc/75/88/20/662758820.db2.gz BHBPSCBXHYCNMA-GFCCVEGCSA-N 1 1 382.283 2.501 20 30 GFEDMO C#CC[C@H](N[C@H]1CC[N@H+](C)[C@H](c2ccc(Br)cc2)C1)C(=O)OC ZINC000877584248 662879476 /nfs/dbraw/zinc/87/94/76/662879476.db2.gz YDBRSVDEYSPCDN-ULQDDVLXSA-N 1 1 379.298 2.739 20 30 GFEDMO C#CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](c2ccc(Br)cc2)C1)C(=O)OC ZINC000877584248 662879478 /nfs/dbraw/zinc/87/94/78/662879478.db2.gz YDBRSVDEYSPCDN-ULQDDVLXSA-N 1 1 379.298 2.739 20 30 GFEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885286508 663088485 /nfs/dbraw/zinc/08/84/85/663088485.db2.gz FTHKMUAUFWFHSC-RKDXNWHRSA-N 1 1 382.295 2.956 20 30 GFEDMO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000913847011 664361303 /nfs/dbraw/zinc/36/13/03/664361303.db2.gz NFUMETKHCARYJV-QGZVFWFLSA-N 1 1 377.535 2.959 20 30 GFEDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(C#N)cc2I)C1 ZINC000932557576 664828585 /nfs/dbraw/zinc/82/85/85/664828585.db2.gz QSVFHJHPJRWPNH-GFCCVEGCSA-N 1 1 398.248 2.626 20 30 GFEDMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)N1CCCC1 ZINC000932941493 664843452 /nfs/dbraw/zinc/84/34/52/664843452.db2.gz CEBNTZHWOORESA-DTORHVGOSA-N 1 1 380.279 2.712 20 30 GFEDMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)N1CCCC1 ZINC000932941493 664843454 /nfs/dbraw/zinc/84/34/54/664843454.db2.gz CEBNTZHWOORESA-DTORHVGOSA-N 1 1 380.279 2.712 20 30 GFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(C#N)c1F)CC2 ZINC001164714241 720117532 /nfs/dbraw/zinc/11/75/32/720117532.db2.gz BBJDSHMVMYKWRB-LJQANCHMSA-N 1 1 395.482 2.995 20 30 GFEDMO N#Cc1cc(Cl)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740609 720840963 /nfs/dbraw/zinc/84/09/63/720840963.db2.gz DCQVQSUOJJGJDO-NZSAHSFTSA-N 1 1 397.914 2.578 20 30 GFEDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)c(Cl)c(C)c3C#N)CC[C@@H]2C1 ZINC001164857766 720842062 /nfs/dbraw/zinc/84/20/62/720842062.db2.gz YPGWMMNNWJWYAT-HIFRSBDPSA-N 1 1 399.322 2.742 20 30 GFEDMO CC(C)c1ccc(C#N)c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164892868 721387700 /nfs/dbraw/zinc/38/77/00/721387700.db2.gz UBXRIINOZZYVPE-NZQKXSOJSA-N 1 1 397.567 2.842 20 30 GFEDMO COC(=O)c1cc(C#N)cnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164957459 722024127 /nfs/dbraw/zinc/02/41/27/722024127.db2.gz CETWZFYSZMNEMI-UHFFFAOYSA-N 1 1 391.475 2.627 20 30 GFEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000015292281 551111165 /nfs/dbraw/zinc/11/11/65/551111165.db2.gz VSDQCUWDBFNJRG-UHFFFAOYSA-N 1 1 387.933 2.817 20 30 GFEDMO C=CC[N@H+](C)Cc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000154780696 551482970 /nfs/dbraw/zinc/48/29/70/551482970.db2.gz DEHDLAJSPAQGKW-UHFFFAOYSA-N 1 1 385.302 2.933 20 30 GFEDMO N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000155200481 551494265 /nfs/dbraw/zinc/49/42/65/551494265.db2.gz GXLKMFFBSCHWET-CQSZACIVSA-N 1 1 398.326 2.616 20 30 GFEDMO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2)C(=O)N(C)CCC#N ZINC000180476655 552227230 /nfs/dbraw/zinc/22/72/30/552227230.db2.gz NHEULRJVOWQPOL-NWDGAFQWSA-N 1 1 396.285 2.631 20 30 GFEDMO N#Cc1ccc(C[NH+]2CCC(c3ccnn3CCO)CC2)c(Br)c1 ZINC000181049277 552244358 /nfs/dbraw/zinc/24/43/58/552244358.db2.gz LJZWXGBOZMEQBZ-UHFFFAOYSA-N 1 1 389.297 2.889 20 30 GFEDMO CCOC(=O)CCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181437848 552256461 /nfs/dbraw/zinc/25/64/61/552256461.db2.gz CPMVVOOIIYBWTR-KRWDZBQOSA-N 1 1 394.313 2.975 20 30 GFEDMO C[N@H+](CCNS(=O)(=O)c1cc(C#N)ccc1Cl)Cc1ccc(F)cc1 ZINC000185047658 552352616 /nfs/dbraw/zinc/35/26/16/552352616.db2.gz JUCIFVGVJYJOEL-UHFFFAOYSA-N 1 1 381.860 2.761 20 30 GFEDMO C[N@@H+](CCNS(=O)(=O)c1cc(C#N)ccc1Cl)Cc1ccc(F)cc1 ZINC000185047658 552352619 /nfs/dbraw/zinc/35/26/19/552352619.db2.gz JUCIFVGVJYJOEL-UHFFFAOYSA-N 1 1 381.860 2.761 20 30 GFEDMO C=CCOc1c(Br)cc(CN2CC[N@@H+](CCO)[C@@H](C)C2)cc1OC ZINC000190242798 552490693 /nfs/dbraw/zinc/49/06/93/552490693.db2.gz GWWAWXVMBIISQN-AWEZNQCLSA-N 1 1 399.329 2.521 20 30 GFEDMO N#Cc1cc(Br)cnc1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000294973884 563223744 /nfs/dbraw/zinc/22/37/44/563223744.db2.gz LYCXSICJVPNQPD-KRWDZBQOSA-N 1 1 387.281 2.894 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)c(Cl)c1 ZINC000370586022 563249384 /nfs/dbraw/zinc/24/93/84/563249384.db2.gz ZQWZKLRYTQMYFZ-MRXNPFEDSA-N 1 1 379.844 2.686 20 30 GFEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)s1 ZINC000373734571 563349013 /nfs/dbraw/zinc/34/90/13/563349013.db2.gz CTGJQSBVBJTVRY-MRXNPFEDSA-N 1 1 375.519 2.762 20 30 GFEDMO Cc1ccc2c(ncc(C#N)c2N2CCC[N@@H+](CCO)CC2)c1Br ZINC000280670319 563349354 /nfs/dbraw/zinc/34/93/54/563349354.db2.gz HLMAWPDJCMYPPN-UHFFFAOYSA-N 1 1 389.297 2.682 20 30 GFEDMO Cc1ccc(Br)cc1NC(=O)CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000328750297 563464489 /nfs/dbraw/zinc/46/44/89/563464489.db2.gz QNHWTHJYCSJVSF-CYBMUJFWSA-N 1 1 383.290 2.943 20 30 GFEDMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1ccc(Cl)s1 ZINC000329251098 563476693 /nfs/dbraw/zinc/47/66/93/563476693.db2.gz XXCYATNRIAAPMB-AWEZNQCLSA-N 1 1 385.917 2.571 20 30 GFEDMO C[N@H+]1CCO[C@@H]2CCN(c3c(C#N)cnc4c(Br)cccc43)C[C@@H]21 ZINC000284966679 563497447 /nfs/dbraw/zinc/49/74/47/563497447.db2.gz KKVUVAULIIXISC-JKSUJKDBSA-N 1 1 387.281 2.778 20 30 GFEDMO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(Br)cc1F ZINC000285570629 563527156 /nfs/dbraw/zinc/52/71/56/563527156.db2.gz HYWGWOCZVOMHPY-GFCCVEGCSA-N 1 1 381.249 2.895 20 30 GFEDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000287783932 563617341 /nfs/dbraw/zinc/61/73/41/563617341.db2.gz KRUUUMHFTHASCD-UHFFFAOYSA-N 1 1 397.298 2.537 20 30 GFEDMO CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435431802 563650474 /nfs/dbraw/zinc/65/04/74/563650474.db2.gz FVPDOCIHGOQSDM-MRXNPFEDSA-N 1 1 375.519 2.905 20 30 GFEDMO CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435431802 563650476 /nfs/dbraw/zinc/65/04/76/563650476.db2.gz FVPDOCIHGOQSDM-MRXNPFEDSA-N 1 1 375.519 2.905 20 30 GFEDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000443066268 563790289 /nfs/dbraw/zinc/79/02/89/563790289.db2.gz JPFLPJVEWWPIQV-CQSZACIVSA-N 1 1 375.416 2.730 20 30 GFEDMO C[N@H+](CCNS(=O)(=O)c1ccc(Cl)cc1C#N)Cc1ccc(F)cc1 ZINC000443344580 563801990 /nfs/dbraw/zinc/80/19/90/563801990.db2.gz RSMOHXVXZRCNHX-UHFFFAOYSA-N 1 1 381.860 2.761 20 30 GFEDMO C[N@@H+](CCNS(=O)(=O)c1ccc(Cl)cc1C#N)Cc1ccc(F)cc1 ZINC000443344580 563801993 /nfs/dbraw/zinc/80/19/93/563801993.db2.gz RSMOHXVXZRCNHX-UHFFFAOYSA-N 1 1 381.860 2.761 20 30 GFEDMO C[N@@H+](CCCCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C1CC1 ZINC000416505439 563839794 /nfs/dbraw/zinc/83/97/94/563839794.db2.gz DBLBXOLJIQEOHX-UHFFFAOYSA-N 1 1 375.416 2.730 20 30 GFEDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)COc1cccc(Br)c1C#N ZINC000450054611 564215569 /nfs/dbraw/zinc/21/55/69/564215569.db2.gz YLDMOQDATMDHDO-KGLIPLIRSA-N 1 1 392.297 2.785 20 30 GFEDMO Cc1[nH+]ccn1CCCN(C)C(=O)COc1cccc(Br)c1C#N ZINC000450187452 564220732 /nfs/dbraw/zinc/22/07/32/564220732.db2.gz ZMPUDHYMGABVPC-UHFFFAOYSA-N 1 1 391.269 2.753 20 30 GFEDMO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000516162038 564495276 /nfs/dbraw/zinc/49/52/76/564495276.db2.gz ZQOCIXQUZWGNMN-PBHICJAKSA-N 1 1 384.933 2.545 20 30 GFEDMO C=CC[C@H](C)NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000455866641 564576852 /nfs/dbraw/zinc/57/68/52/564576852.db2.gz ATBFXMGMHBHAPU-LBPRGKRZSA-N 1 1 382.306 2.682 20 30 GFEDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000492876195 564804640 /nfs/dbraw/zinc/80/46/40/564804640.db2.gz VGIVSDOKLOMVBN-LSDHHAIUSA-N 1 1 381.270 2.863 20 30 GFEDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc(C#N)ccc1Br ZINC000492876195 564804642 /nfs/dbraw/zinc/80/46/42/564804642.db2.gz VGIVSDOKLOMVBN-LSDHHAIUSA-N 1 1 381.270 2.863 20 30 GFEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000492815962 564804837 /nfs/dbraw/zinc/80/48/37/564804837.db2.gz GDEOGQJNLPHDRD-LLVKDONJSA-N 1 1 390.203 2.821 20 30 GFEDMO C=CC[N@H+](C)CCN(CC)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000556066664 564811618 /nfs/dbraw/zinc/81/16/18/564811618.db2.gz MMBBYOQALWUKPL-UHFFFAOYSA-N 1 1 388.375 2.909 20 30 GFEDMO CC[N@H+](CCNS(=O)(=O)c1cccc(Cl)c1C#N)CCC(F)(F)F ZINC000494407471 564828387 /nfs/dbraw/zinc/82/83/87/564828387.db2.gz UAMVOPPKERFIKZ-UHFFFAOYSA-N 1 1 383.823 2.764 20 30 GFEDMO CC[N@@H+](CCNS(=O)(=O)c1cccc(Cl)c1C#N)CCC(F)(F)F ZINC000494407471 564828390 /nfs/dbraw/zinc/82/83/90/564828390.db2.gz UAMVOPPKERFIKZ-UHFFFAOYSA-N 1 1 383.823 2.764 20 30 GFEDMO C[N@@H+]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H](c2ccccc2)C1 ZINC000498849233 564910724 /nfs/dbraw/zinc/91/07/24/564910724.db2.gz HIRRCRUQDGBTKR-WMZOPIPTSA-N 1 1 375.881 2.588 20 30 GFEDMO C[N@H+]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H](c2ccccc2)C1 ZINC000498849233 564910728 /nfs/dbraw/zinc/91/07/28/564910728.db2.gz HIRRCRUQDGBTKR-WMZOPIPTSA-N 1 1 375.881 2.588 20 30 GFEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000613841100 565082891 /nfs/dbraw/zinc/08/28/91/565082891.db2.gz BWUPESMDSQRQJR-MRXNPFEDSA-N 1 1 382.302 2.920 20 30 GFEDMO Cc1cc(N2CCC[C@@H]([N@@H+]3CC[C@](O)(CC#N)C3)C2=O)ccc1Br ZINC000592150667 565261060 /nfs/dbraw/zinc/26/10/60/565261060.db2.gz GCRNQGORPXCWHY-SJLPKXTDSA-N 1 1 392.297 2.603 20 30 GFEDMO Cc1cc(N2CCC[C@@H]([N@H+]3CC[C@](O)(CC#N)C3)C2=O)ccc1Br ZINC000592150667 565261064 /nfs/dbraw/zinc/26/10/64/565261064.db2.gz GCRNQGORPXCWHY-SJLPKXTDSA-N 1 1 392.297 2.603 20 30 GFEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593518876 565336201 /nfs/dbraw/zinc/33/62/01/565336201.db2.gz UYCQDCLRTLKJJD-AWEZNQCLSA-N 1 1 378.314 2.957 20 30 GFEDMO N#Cc1sccc1S(=O)(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000593534126 565339142 /nfs/dbraw/zinc/33/91/42/565339142.db2.gz GVQBLVPCEBJJFM-UHFFFAOYSA-N 1 1 379.482 2.702 20 30 GFEDMO CN(C1CC[NH+](CCC(F)(F)F)CC1)S(=O)(=O)c1ccsc1C#N ZINC000593604617 565346664 /nfs/dbraw/zinc/34/66/64/565346664.db2.gz CGBWJPGWJJOIBQ-UHFFFAOYSA-N 1 1 381.445 2.657 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1Br ZINC000594485089 565394970 /nfs/dbraw/zinc/39/49/70/565394970.db2.gz WALHNRQTQSLCBH-JKSUJKDBSA-N 1 1 398.326 2.616 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000594757190 565415695 /nfs/dbraw/zinc/41/56/95/565415695.db2.gz ABCBYSHSZXIEMM-ZBEGNZNMSA-N 1 1 375.519 2.842 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000594757190 565415700 /nfs/dbraw/zinc/41/57/00/565415700.db2.gz ABCBYSHSZXIEMM-ZBEGNZNMSA-N 1 1 375.519 2.842 20 30 GFEDMO N#Cc1cc(Br)ccc1CC(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597576580 565564934 /nfs/dbraw/zinc/56/49/34/565564934.db2.gz VUNGMAIUKYARSJ-HZPDHXFCSA-N 1 1 380.261 2.508 20 30 GFEDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccc(Br)cc1C#N)C2 ZINC000597710130 565570732 /nfs/dbraw/zinc/57/07/32/565570732.db2.gz HLYNQPZGWARQNI-GOSISDBHSA-N 1 1 376.298 2.808 20 30 GFEDMO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000598588962 565629118 /nfs/dbraw/zinc/62/91/18/565629118.db2.gz FHJLRCRQBLZAHV-INIZCTEOSA-N 1 1 394.313 2.508 20 30 GFEDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@H](C)C1 ZINC000601440383 565783747 /nfs/dbraw/zinc/78/37/47/565783747.db2.gz QLOIQGXXFCBKCN-GFCCVEGCSA-N 1 1 375.416 2.682 20 30 GFEDMO C=CC[N@H+](CCOc1ccc(C#N)cc1OC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735418968 598983061 /nfs/dbraw/zinc/98/30/61/598983061.db2.gz NCGARSRZDIDJOV-UHFFFAOYSA-N 1 1 390.447 2.814 20 30 GFEDMO CCOCCC[N@@H+]1CCC(N=Nc2oc(C(C)C)nc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000736613983 599220901 /nfs/dbraw/zinc/22/09/01/599220901.db2.gz CNFDRCNROFQDBA-ZDUSSCGKSA-N 1 1 390.492 2.514 20 30 GFEDMO CCOCCC[N@H+]1CCC(N=Nc2oc(C(C)C)nc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000736613983 599220905 /nfs/dbraw/zinc/22/09/05/599220905.db2.gz CNFDRCNROFQDBA-ZDUSSCGKSA-N 1 1 390.492 2.514 20 30 GFEDMO N#Cc1cc(Cl)ccc1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737704383 598507104 /nfs/dbraw/zinc/50/71/04/598507104.db2.gz HXEAWXPQDRGNNI-UHFFFAOYSA-N 1 1 379.855 2.714 20 30 GFEDMO Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)oc1C ZINC000738855696 600598531 /nfs/dbraw/zinc/59/85/31/600598531.db2.gz XNADIZKDOUUVMV-HXUWFJFHSA-N 1 1 382.464 2.791 20 30 GFEDMO C=CC[N@@H+](Cc1cc(C(=O)OC)oc1CC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819745412 606108696 /nfs/dbraw/zinc/10/86/96/606108696.db2.gz BNDGLCWBBXCJGB-UHFFFAOYSA-N 1 1 381.436 2.997 20 30 GFEDMO C=CC[N@H+](Cc1cc(C(=O)OC)oc1CC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819745412 606108697 /nfs/dbraw/zinc/10/86/97/606108697.db2.gz BNDGLCWBBXCJGB-UHFFFAOYSA-N 1 1 381.436 2.997 20 30 GFEDMO N#CCc1ccc(CN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826382746 609513868 /nfs/dbraw/zinc/51/38/68/609513868.db2.gz SJCBGDWHHSZYAZ-UHFFFAOYSA-N 1 1 387.491 2.641 20 30 GFEDMO N#CCc1ccc(C[N@@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826382746 609513870 /nfs/dbraw/zinc/51/38/70/609513870.db2.gz SJCBGDWHHSZYAZ-UHFFFAOYSA-N 1 1 387.491 2.641 20 30 GFEDMO N#CCc1ccc(C[N@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826382746 609513871 /nfs/dbraw/zinc/51/38/71/609513871.db2.gz SJCBGDWHHSZYAZ-UHFFFAOYSA-N 1 1 387.491 2.641 20 30 GFEDMO NC(=NOCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Br)o1 ZINC000817377556 660192489 /nfs/dbraw/zinc/19/24/89/660192489.db2.gz AIZSCIQQZCJCCY-UHFFFAOYSA-N 1 1 394.269 2.711 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000818609232 660229943 /nfs/dbraw/zinc/22/99/43/660229943.db2.gz PYZCLKFOQAPVLC-UHFFFAOYSA-N 1 1 376.810 2.627 20 30 GFEDMO C#C[C@H](NC(=O)CCCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000833231166 660806578 /nfs/dbraw/zinc/80/65/78/660806578.db2.gz QVQQZJXAEBHLKK-KRWDZBQOSA-N 1 1 379.298 2.742 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000836385742 660902946 /nfs/dbraw/zinc/90/29/46/660902946.db2.gz JIUAWFRISDVHHD-WMLDXEAASA-N 1 1 396.329 2.779 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1cccc(F)c1 ZINC000055216647 654771670 /nfs/dbraw/zinc/77/16/70/654771670.db2.gz HKJAXJWWIGNRTL-QGZVFWFLSA-N 1 1 381.860 2.932 20 30 GFEDMO Cc1cc(I)ccc1NC(=O)CO[NH+]=C(N)CC(C)C ZINC000125463632 654795434 /nfs/dbraw/zinc/79/54/34/654795434.db2.gz CTMRWFBDHTYNHJ-UHFFFAOYSA-N 1 1 389.237 2.873 20 30 GFEDMO C=CCn1c2ncn(Cc3[nH+]ccn3CC(F)(F)F)c(=O)c2sc1=S ZINC000057746189 654809835 /nfs/dbraw/zinc/80/98/35/654809835.db2.gz GGRIBJGITMEPFB-UHFFFAOYSA-N 1 1 387.412 2.982 20 30 GFEDMO C[N@H+](CCOc1cccc(C#N)c1)CC(=O)Nc1ccc(Br)cn1 ZINC000068451688 654962536 /nfs/dbraw/zinc/96/25/36/654962536.db2.gz BGIOJGAXBNLLBX-UHFFFAOYSA-N 1 1 389.253 2.665 20 30 GFEDMO C[N@@H+](CCOc1cccc(C#N)c1)CC(=O)Nc1ccc(Br)cn1 ZINC000068451688 654962540 /nfs/dbraw/zinc/96/25/40/654962540.db2.gz BGIOJGAXBNLLBX-UHFFFAOYSA-N 1 1 389.253 2.665 20 30 GFEDMO [NH2+]=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)NC1CCCCC1 ZINC000170914664 655146962 /nfs/dbraw/zinc/14/69/62/655146962.db2.gz JACLQJAHDUUTFY-UHFFFAOYSA-N 1 1 377.290 2.971 20 30 GFEDMO [NH2+]=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)NC1CCCCC1 ZINC000170914664 655146966 /nfs/dbraw/zinc/14/69/66/655146966.db2.gz JACLQJAHDUUTFY-UHFFFAOYSA-N 1 1 377.290 2.971 20 30 GFEDMO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)COc3ccc(Br)cc3)CC2)C1 ZINC000293148567 655359498 /nfs/dbraw/zinc/35/94/98/655359498.db2.gz QTGCUEXGRZANEU-GDBMZVCRSA-N 1 1 392.297 2.664 20 30 GFEDMO C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000245549839 655427920 /nfs/dbraw/zinc/42/79/20/655427920.db2.gz ZVTHXEZXYVEXLI-IAGOWNOFSA-N 1 1 388.265 2.513 20 30 GFEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000245549839 655427921 /nfs/dbraw/zinc/42/79/21/655427921.db2.gz ZVTHXEZXYVEXLI-IAGOWNOFSA-N 1 1 388.265 2.513 20 30 GFEDMO N#Cc1cccc(CS(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)c1 ZINC000261777900 655442199 /nfs/dbraw/zinc/44/21/99/655442199.db2.gz SVXKTWHCWGXYGF-GOSISDBHSA-N 1 1 375.881 2.688 20 30 GFEDMO C[NH+]=C(NCc1cn[nH]c1C)NCC1(c2cccc(Br)c2)CC1 ZINC000262562268 655446247 /nfs/dbraw/zinc/44/62/47/655446247.db2.gz WRYWMCUTKKUGLW-UHFFFAOYSA-N 1 1 376.302 2.877 20 30 GFEDMO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000747818664 655783819 /nfs/dbraw/zinc/78/38/19/655783819.db2.gz ZBGWZLDURPEHHW-LBPRGKRZSA-N 1 1 382.291 2.782 20 30 GFEDMO C=C(C)C[NH+]1CCC(Nc2nc(CS(C)(=O)=O)nc(Cl)c2CC)CC1 ZINC000749095448 655799865 /nfs/dbraw/zinc/79/98/65/655799865.db2.gz AUBGLTVAZSPYAZ-UHFFFAOYSA-N 1 1 386.949 2.689 20 30 GFEDMO C#CCNC(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000754952811 655876863 /nfs/dbraw/zinc/87/68/63/655876863.db2.gz NYEOGYVQBUCQOZ-NSHDSACASA-N 1 1 378.295 2.973 20 30 GFEDMO CCSc1ccc(C(C)=NNC(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000755522113 655885128 /nfs/dbraw/zinc/88/51/28/655885128.db2.gz VJBYBMYULOSPGC-UHFFFAOYSA-N 1 1 380.583 2.709 20 30 GFEDMO C#C[C@H](C)[N@H+](C)Cc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000775182671 656610968 /nfs/dbraw/zinc/61/09/68/656610968.db2.gz FOUYXQBPZKOWQK-ZDUSSCGKSA-N 1 1 397.313 2.768 20 30 GFEDMO C#CCC[NH+]1CCN(Cc2noc(Cc3ccc(Br)cc3)n2)CC1 ZINC000776595424 656764438 /nfs/dbraw/zinc/76/44/38/656764438.db2.gz LNAFUNLGFUTFFJ-UHFFFAOYSA-N 1 1 389.297 2.564 20 30 GFEDMO N#CCC1CC[NH+](Cn2c(=O)oc3cc(I)ccc32)CC1 ZINC000781572134 657064581 /nfs/dbraw/zinc/06/45/81/657064581.db2.gz NLJNPGUVNPPMPI-UHFFFAOYSA-N 1 1 397.216 2.782 20 30 GFEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@H](O)c3cccc(Br)c3)C2)nc1 ZINC000794834359 658620854 /nfs/dbraw/zinc/62/08/54/658620854.db2.gz UTFLMMRLUNPAHH-IRXDYDNUSA-N 1 1 388.265 2.902 20 30 GFEDMO N#Cc1ccc(O[C@H]2CC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)nc1 ZINC000794834359 658620901 /nfs/dbraw/zinc/62/09/01/658620901.db2.gz UTFLMMRLUNPAHH-IRXDYDNUSA-N 1 1 388.265 2.902 20 30 GFEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000795816462 658854463 /nfs/dbraw/zinc/85/44/63/658854463.db2.gz IQJPAOQKCLPPQB-MRXNPFEDSA-N 1 1 378.885 2.756 20 30 GFEDMO Brc1ccc(C=NNCCC[NH+]2CCOCC2)c2ncccc12 ZINC000799490948 659194577 /nfs/dbraw/zinc/19/45/77/659194577.db2.gz AZCBDHZXVUSBEE-UHFFFAOYSA-N 1 1 377.286 2.643 20 30 GFEDMO Cc1cc(Br)c2c(c1)C(=NNCCC[NH+]1CCOCC1)CCO2 ZINC000799491803 659194660 /nfs/dbraw/zinc/19/46/60/659194660.db2.gz NSTBDMUSZZTIDJ-UHFFFAOYSA-N 1 1 382.302 2.556 20 30 GFEDMO C#CC[N@H+](C)CCCNc1ncnc(CC(C)C)c1I ZINC000814928734 660098633 /nfs/dbraw/zinc/09/86/33/660098633.db2.gz LCQLPVRBBQGXFO-UHFFFAOYSA-N 1 1 386.281 2.647 20 30 GFEDMO N#CCCCC[C@@H]([NH3+])c1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000848631447 661668706 /nfs/dbraw/zinc/66/87/06/661668706.db2.gz GXEUKKKDDHBYNT-CYBMUJFWSA-N 1 1 392.257 2.846 20 30 GFEDMO COCC(COC)NN=C1CC[N@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC000863192838 662314195 /nfs/dbraw/zinc/31/41/95/662314195.db2.gz DJAIYUOWNUZEGM-KRWDZBQOSA-N 1 1 384.318 2.823 20 30 GFEDMO COCC(COC)NN=C1CC[N@@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC000863192838 662314199 /nfs/dbraw/zinc/31/41/99/662314199.db2.gz DJAIYUOWNUZEGM-KRWDZBQOSA-N 1 1 384.318 2.823 20 30 GFEDMO Cc1ccc(Br)c(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1C#N ZINC000872489942 662772518 /nfs/dbraw/zinc/77/25/18/662772518.db2.gz UHNCPKPQEPATHV-MRXNPFEDSA-N 1 1 391.313 2.548 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884958664 663079797 /nfs/dbraw/zinc/07/97/97/663079797.db2.gz AQVQNJFMVLYHBN-HUUCEWRRSA-N 1 1 375.519 2.987 20 30 GFEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1 ZINC000903228781 663779399 /nfs/dbraw/zinc/77/93/99/663779399.db2.gz BFSFIJAWMCSKHK-CYBMUJFWSA-N 1 1 394.946 2.526 20 30 GFEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C ZINC001047569250 665077158 /nfs/dbraw/zinc/07/71/58/665077158.db2.gz UXYZZMOPDJTEMY-YVECIDJPSA-N 1 1 381.933 2.705 20 30 GFEDMO CC(C)c1ccc(C#N)c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164810856 720212796 /nfs/dbraw/zinc/21/27/96/720212796.db2.gz FFUFUCVWYJOCMA-UHFFFAOYSA-N 1 1 394.523 2.884 20 30 GFEDMO Cc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)cc1C#N ZINC001164866676 721187101 /nfs/dbraw/zinc/18/71/01/721187101.db2.gz BSMLVVMMNQFHIN-ZWKOTPCHSA-N 1 1 383.883 2.790 20 30 GFEDMO C=CCOCc1nn(C)c2c1CN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164784007 721447056 /nfs/dbraw/zinc/44/70/56/721447056.db2.gz DEOJMPAVEVKBED-UHFFFAOYSA-N 1 1 397.523 2.553 20 30 GFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)c(C#N)cn1)CC2 ZINC001164787830 721457835 /nfs/dbraw/zinc/45/78/35/721457835.db2.gz SOSHBDKSYZBULT-NRFANRHFSA-N 1 1 398.551 2.996 20 30 GFEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(C#N)ccc3[N+](=O)[O-])C[C@H]21 ZINC001165027305 721811617 /nfs/dbraw/zinc/81/16/17/721811617.db2.gz UGXHYHVKZZKPOQ-KFKAGJAMSA-N 1 1 392.463 2.993 20 30 GFEDMO C=CCOc1c(Br)cc(C[NH+]2CCC(C(=O)NC)CC2)cc1OC ZINC000179824093 552203845 /nfs/dbraw/zinc/20/38/45/552203845.db2.gz KKAATGAIKYYHFO-UHFFFAOYSA-N 1 1 397.313 2.981 20 30 GFEDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2C#N)[C@H]1c1ccccc1 ZINC000245675915 553095166 /nfs/dbraw/zinc/09/51/66/553095166.db2.gz TXHSBWDEOFSVPV-SJLPKXTDSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2C#N)[C@H]1c1ccccc1 ZINC000245675915 553095167 /nfs/dbraw/zinc/09/51/67/553095167.db2.gz TXHSBWDEOFSVPV-SJLPKXTDSA-N 1 1 375.881 2.935 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C(=O)NC)C2)cc1OCC ZINC000421371369 563308790 /nfs/dbraw/zinc/30/87/90/563308790.db2.gz CMZGTXLJWJIQPL-CQSZACIVSA-N 1 1 397.313 2.981 20 30 GFEDMO CC[NH+]1CCC(NC(=O)CN2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000329226788 563475855 /nfs/dbraw/zinc/47/58/55/563475855.db2.gz HQBSULRUOBWKFW-UHFFFAOYSA-N 1 1 398.349 2.723 20 30 GFEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1ccsc1Br ZINC000330391355 563503213 /nfs/dbraw/zinc/50/32/13/563503213.db2.gz HPVHBIPUVYWTRU-NSHDSACASA-N 1 1 390.347 2.702 20 30 GFEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000428994306 563506231 /nfs/dbraw/zinc/50/62/31/563506231.db2.gz FKKOFDUAAQTANO-LRDDRELGSA-N 1 1 385.277 2.800 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000380661385 563515442 /nfs/dbraw/zinc/51/54/42/563515442.db2.gz APHVVOZIHHSQMC-MRXNPFEDSA-N 1 1 375.881 2.764 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000380661385 563515444 /nfs/dbraw/zinc/51/54/44/563515444.db2.gz APHVVOZIHHSQMC-MRXNPFEDSA-N 1 1 375.881 2.764 20 30 GFEDMO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(Br)cc1F ZINC000285570633 563527515 /nfs/dbraw/zinc/52/75/15/563527515.db2.gz HYWGWOCZVOMHPY-LBPRGKRZSA-N 1 1 381.249 2.895 20 30 GFEDMO CC(C)[C@@H]1CN(C(=O)CNC(=O)c2cccc(Br)c2)CC[N@H+]1C ZINC000331147381 563536993 /nfs/dbraw/zinc/53/69/93/563536993.db2.gz NVVBADHCBOBPNE-HNNXBMFYSA-N 1 1 382.302 2.552 20 30 GFEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000333564799 563636098 /nfs/dbraw/zinc/63/60/98/563636098.db2.gz OQWJLSMBVAOCFM-PBHICJAKSA-N 1 1 392.297 2.642 20 30 GFEDMO CN(Cc1ccc(C#N)cc1Br)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364866899 563765966 /nfs/dbraw/zinc/76/59/66/563765966.db2.gz BASDWUVQOLHUBY-GOSISDBHSA-N 1 1 391.357 2.921 20 30 GFEDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2ccc(Br)cc2C#N)C[C@H](C)O1 ZINC000450120986 564218247 /nfs/dbraw/zinc/21/82/47/564218247.db2.gz HTWPURQBCNWQRO-OKILXGFUSA-N 1 1 394.313 2.940 20 30 GFEDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000450930550 564255998 /nfs/dbraw/zinc/25/59/98/564255998.db2.gz NDKBMIFAYYDCBQ-CYBMUJFWSA-N 1 1 380.286 2.689 20 30 GFEDMO C=CCn1c(SC[C@@H](O)C[N@H+](C)CC)nc2sc3c(c2c1=O)CCC3 ZINC000565224665 564271746 /nfs/dbraw/zinc/27/17/46/564271746.db2.gz LUSIVKCWKNOYJN-LBPRGKRZSA-N 1 1 379.551 2.537 20 30 GFEDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000457093878 564646833 /nfs/dbraw/zinc/64/68/33/564646833.db2.gz OLATYRXUCUQMPR-AWEZNQCLSA-N 1 1 380.286 2.641 20 30 GFEDMO CCN(CCC#N)C(=O)C[N@H+](CC)CCOc1ccc(Br)cc1 ZINC000525121548 564693162 /nfs/dbraw/zinc/69/31/62/564693162.db2.gz RWOCKHUAXMYTCW-UHFFFAOYSA-N 1 1 382.302 2.912 20 30 GFEDMO CCN(CCC#N)C(=O)C[N@@H+](CC)CCOc1ccc(Br)cc1 ZINC000525121548 564693164 /nfs/dbraw/zinc/69/31/64/564693164.db2.gz RWOCKHUAXMYTCW-UHFFFAOYSA-N 1 1 382.302 2.912 20 30 GFEDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492671647 564803656 /nfs/dbraw/zinc/80/36/56/564803656.db2.gz KTKDCOJSOMREMS-DZGCQCFKSA-N 1 1 394.313 2.684 20 30 GFEDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000492876192 564804744 /nfs/dbraw/zinc/80/47/44/564804744.db2.gz VGIVSDOKLOMVBN-CABCVRRESA-N 1 1 381.270 2.863 20 30 GFEDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cc(C#N)ccc1Br ZINC000492876192 564804745 /nfs/dbraw/zinc/80/47/45/564804745.db2.gz VGIVSDOKLOMVBN-CABCVRRESA-N 1 1 381.270 2.863 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000583038365 564872837 /nfs/dbraw/zinc/87/28/37/564872837.db2.gz OWAMWLGDOSMADS-INIZCTEOSA-N 1 1 377.535 2.743 20 30 GFEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSc2ccc(C#N)cc2Cl)C1 ZINC000533176908 564956987 /nfs/dbraw/zinc/95/69/87/564956987.db2.gz GSQSBSYQSCHGAB-HNNXBMFYSA-N 1 1 381.929 2.777 20 30 GFEDMO C=CCNC(=O)NC(=O)C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000503689963 565026257 /nfs/dbraw/zinc/02/62/57/565026257.db2.gz XSZBZRNTRHRBGQ-UHFFFAOYSA-N 1 1 380.286 2.673 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000594756446 565415443 /nfs/dbraw/zinc/41/54/43/565415443.db2.gz GCPNORJRAKLJLG-CABCVRRESA-N 1 1 375.519 2.939 20 30 GFEDMO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ncc(Br)cc1Cl ZINC000595394514 565473041 /nfs/dbraw/zinc/47/30/41/565473041.db2.gz GIKRLQDMCIBWSM-UHFFFAOYSA-N 1 1 383.681 2.569 20 30 GFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ncc(Br)cc1Cl ZINC000595394514 565473043 /nfs/dbraw/zinc/47/30/43/565473043.db2.gz GIKRLQDMCIBWSM-UHFFFAOYSA-N 1 1 383.681 2.569 20 30 GFEDMO C=CC[C@]1(C(=O)Nc2nc3ccc(I)cc3[nH]2)CCC[NH2+]1 ZINC000595983183 565503503 /nfs/dbraw/zinc/50/35/03/565503503.db2.gz ZLVQYQKBOJGWCE-OAHLLOKOSA-N 1 1 396.232 2.804 20 30 GFEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000599651402 565695070 /nfs/dbraw/zinc/69/50/70/565695070.db2.gz HEMZFPDJSLSKBI-GXTWGEPZSA-N 1 1 380.286 2.639 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671106793 565752258 /nfs/dbraw/zinc/75/22/58/565752258.db2.gz JIOHUXPZDLSYTO-UONOGXRCSA-N 1 1 381.929 2.659 20 30 GFEDMO Cc1ccc(Br)c2ncc(C#N)c(N3CCC[N@@H+](CCO)CC3)c12 ZINC000601113974 565767480 /nfs/dbraw/zinc/76/74/80/565767480.db2.gz LAPAHDIIUJINKX-UHFFFAOYSA-N 1 1 389.297 2.682 20 30 GFEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000611094736 566113993 /nfs/dbraw/zinc/11/39/93/566113993.db2.gz VOCMUGANEVJDBR-CYBMUJFWSA-N 1 1 383.323 2.868 20 30 GFEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736198112 599314118 /nfs/dbraw/zinc/31/41/18/599314118.db2.gz FUTIDTKACGDIDK-CQSZACIVSA-N 1 1 377.427 2.761 20 30 GFEDMO Fc1ccc(C#CC[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000826373727 607518002 /nfs/dbraw/zinc/51/80/02/607518002.db2.gz XLJFVXZAHSIJKY-UHFFFAOYSA-N 1 1 376.439 2.570 20 30 GFEDMO C#CC[N@H+](Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)[C@H]1CCc2ccccc21 ZINC000823850569 607920968 /nfs/dbraw/zinc/92/09/68/607920968.db2.gz RLYMJEHNOQVJGY-IBGZPJMESA-N 1 1 387.443 2.776 20 30 GFEDMO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000824762199 609140268 /nfs/dbraw/zinc/14/02/68/609140268.db2.gz FDVQEUNBBMNJDG-YWZLYKJASA-N 1 1 391.454 2.949 20 30 GFEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)s1 ZINC000819404546 660258336 /nfs/dbraw/zinc/25/83/36/660258336.db2.gz LHANUDXQCSEPIC-YPMHNXCESA-N 1 1 389.974 2.674 20 30 GFEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000819404546 660258338 /nfs/dbraw/zinc/25/83/38/660258338.db2.gz LHANUDXQCSEPIC-YPMHNXCESA-N 1 1 389.974 2.674 20 30 GFEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832671942 660793807 /nfs/dbraw/zinc/79/38/07/660793807.db2.gz GUHIQJGFQPAXNN-QBIMZIAESA-N 1 1 396.329 2.857 20 30 GFEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832671942 660793809 /nfs/dbraw/zinc/79/38/09/660793809.db2.gz GUHIQJGFQPAXNN-QBIMZIAESA-N 1 1 396.329 2.857 20 30 GFEDMO NC(=[NH+]OCc1nc(-c2cc(Br)cs2)no1)C1CCOCC1 ZINC000123539626 654758919 /nfs/dbraw/zinc/75/89/19/654758919.db2.gz QSXHCLHFEXUTMD-UHFFFAOYSA-N 1 1 387.259 2.776 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000838622741 661050945 /nfs/dbraw/zinc/05/09/45/661050945.db2.gz ZKKLFXBQXVUVSS-IAGOWNOFSA-N 1 1 384.307 2.548 20 30 GFEDMO Cc1oc(NC(=O)C[NH2+][C@H](CO)c2ccc(Br)cc2)c(C#N)c1C ZINC000273157278 655132910 /nfs/dbraw/zinc/13/29/10/655132910.db2.gz YIDSLVCEMQSSEJ-OAHLLOKOSA-N 1 1 392.253 2.792 20 30 GFEDMO CC(C)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000177626354 655283674 /nfs/dbraw/zinc/28/36/74/655283674.db2.gz MQPOHBBUOHPOFG-UHFFFAOYSA-N 1 1 375.416 2.539 20 30 GFEDMO N#Cc1ccc(C[N@H+](CCN2CCOCC2)CC2CC2)c(Br)c1 ZINC000595809523 655513183 /nfs/dbraw/zinc/51/31/83/655513183.db2.gz SJBWVWVQLCSMAK-UHFFFAOYSA-N 1 1 378.314 2.865 20 30 GFEDMO N#Cc1ccc(C[N@@H+](CCN2CCOCC2)CC2CC2)c(Br)c1 ZINC000595809523 655513186 /nfs/dbraw/zinc/51/31/86/655513186.db2.gz SJBWVWVQLCSMAK-UHFFFAOYSA-N 1 1 378.314 2.865 20 30 GFEDMO COc1cc(C[N@@H+]2CC[C@@H](Nc3nc(C#N)c(Cl)s3)C2)cc(OC)c1 ZINC000596162178 655514307 /nfs/dbraw/zinc/51/43/07/655514307.db2.gz DWMNEXIAPKYBDI-GFCCVEGCSA-N 1 1 378.885 2.794 20 30 GFEDMO COc1cc(C[N@H+]2CC[C@@H](Nc3nc(C#N)c(Cl)s3)C2)cc(OC)c1 ZINC000596162178 655514308 /nfs/dbraw/zinc/51/43/08/655514308.db2.gz DWMNEXIAPKYBDI-GFCCVEGCSA-N 1 1 378.885 2.794 20 30 GFEDMO CC(C)C(CNC(=O)c1ccc([N+](=O)[O-])cc1)=[NH+]n1cc(Br)cn1 ZINC000752743130 655846253 /nfs/dbraw/zinc/84/62/53/655846253.db2.gz OHYPJZFEOSTFPA-UHFFFAOYSA-N 1 1 394.229 2.844 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(OC)cc1I ZINC000756542063 655901574 /nfs/dbraw/zinc/90/15/74/655901574.db2.gz FIBXKMTWLVNBSG-GFCCVEGCSA-N 1 1 399.228 2.554 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)COc1ccc(Br)cc1C(C)=O ZINC000796988906 658958477 /nfs/dbraw/zinc/95/84/77/658958477.db2.gz MTECBZBNXXVGNL-HNNXBMFYSA-N 1 1 394.265 2.671 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)COc1ccc(Br)cc1C(C)=O ZINC000796988906 658958491 /nfs/dbraw/zinc/95/84/91/658958491.db2.gz MTECBZBNXXVGNL-HNNXBMFYSA-N 1 1 394.265 2.671 20 30 GFEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC000862447591 662288179 /nfs/dbraw/zinc/28/81/79/662288179.db2.gz OUXNDICTOQXUQT-KGLIPLIRSA-N 1 1 379.298 2.808 20 30 GFEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Br)c(C#N)n2)[C@@H](C)C1 ZINC000883092423 663048747 /nfs/dbraw/zinc/04/87/47/663048747.db2.gz ORAGLKWKSMVBNZ-FZMZJTMJSA-N 1 1 380.290 2.910 20 30 GFEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1Cl ZINC000886804126 663119281 /nfs/dbraw/zinc/11/92/81/663119281.db2.gz SIQXFVYXHZEEGA-HNNXBMFYSA-N 1 1 375.778 2.787 20 30 GFEDMO N#Cc1cnn2cc(C[NH2+][C@@]3(c4ccc(Br)cc4)C[C@@H](O)C3)cnc12 ZINC000895512519 663517454 /nfs/dbraw/zinc/51/74/54/663517454.db2.gz PDXCVEPWPUCQTN-MAEOIBBWSA-N 1 1 398.264 2.503 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000914071687 664374328 /nfs/dbraw/zinc/37/43/28/664374328.db2.gz YCGFDBBXQUNWQU-UHFFFAOYSA-N 1 1 391.306 2.658 20 30 GFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1csc(C#N)c1 ZINC000914374953 664404405 /nfs/dbraw/zinc/40/44/05/664404405.db2.gz ROIBMVPMWGMLEG-KBXCAEBGSA-N 1 1 375.519 2.560 20 30 GFEDMO CN(C)C(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932948978 664844454 /nfs/dbraw/zinc/84/44/54/664844454.db2.gz NIYDQNLNCAIBBZ-DTORHVGOSA-N 1 1 382.295 2.958 20 30 GFEDMO COC(=O)c1cc(C#N)cnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164628812 719108813 /nfs/dbraw/zinc/10/88/13/719108813.db2.gz OOBLPDKDONAAQZ-UYAOXDASSA-N 1 1 376.460 2.841 20 30 GFEDMO COc1cc(C#N)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164839595 720550891 /nfs/dbraw/zinc/55/08/91/720550891.db2.gz QROGTMCQWIXQMQ-YVWKXTFCSA-N 1 1 380.496 2.536 20 30 GFEDMO N#Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164751161 720813298 /nfs/dbraw/zinc/81/32/98/720813298.db2.gz XEPMGONRCOHDHR-YQVWRLOYSA-N 1 1 397.914 2.578 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(C5(C#N)CCC5)cn4)C[C@@H]3C2)cn1 ZINC001164762206 721129289 /nfs/dbraw/zinc/12/92/89/721129289.db2.gz CNYMDOZLUKUGPI-OALUTQOASA-N 1 1 376.508 2.719 20 30 GFEDMO Cc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)cc1C#N ZINC001164866674 721185772 /nfs/dbraw/zinc/18/57/72/721185772.db2.gz BSMLVVMMNQFHIN-QZTJIDSGSA-N 1 1 383.883 2.790 20 30 GFEDMO Cc1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)cc1C#N ZINC001164866673 721186219 /nfs/dbraw/zinc/18/62/19/721186219.db2.gz BSMLVVMMNQFHIN-MSOLQXFVSA-N 1 1 383.883 2.790 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc5c(c4C#N)CCCC5)C[C@H]3C2)cn1 ZINC001164766763 721244450 /nfs/dbraw/zinc/24/44/50/721244450.db2.gz VIYWWRPITILFFT-RBUKOAKNSA-N 1 1 376.508 2.524 20 30 GFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(C)c1C#N)CC2 ZINC001164785222 721452214 /nfs/dbraw/zinc/45/22/14/721452214.db2.gz HKRIKIVZMCRLEZ-FQEVSTJZSA-N 1 1 398.551 2.996 20 30 GFEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc4c(C#N)c[nH]c4n3)C[C@H]21 ZINC001165027317 721820048 /nfs/dbraw/zinc/82/00/48/721820048.db2.gz UHWMTZJFMIFNDV-CWFSZBLJSA-N 1 1 387.491 2.961 20 30 GFEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)nn2)cc1 ZINC001164930278 721850293 /nfs/dbraw/zinc/85/02/93/721850293.db2.gz REYZDZVMNOYYRE-ILWGZMRPSA-N 1 1 390.535 2.655 20 30 GFEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)nn2)cc1 ZINC001164930278 721850295 /nfs/dbraw/zinc/85/02/95/721850295.db2.gz REYZDZVMNOYYRE-ILWGZMRPSA-N 1 1 390.535 2.655 20 30 GFEDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccc(F)cc2)ccc1C#N ZINC001164932698 721850579 /nfs/dbraw/zinc/85/05/79/721850579.db2.gz ZOYWFCJXRDXNLS-LEWJYISDSA-N 1 1 379.483 2.974 20 30 GFEDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccc(F)cc2)ccc1C#N ZINC001164932698 721850580 /nfs/dbraw/zinc/85/05/80/721850580.db2.gz ZOYWFCJXRDXNLS-LEWJYISDSA-N 1 1 379.483 2.974 20 30 GFEDMO CCOC(=O)c1cc(C)nc(N2CC[NH+](CCOc3ccccc3)CC2)c1C#N ZINC001165045311 721954862 /nfs/dbraw/zinc/95/48/62/721954862.db2.gz SBOFGJGCMZRZQC-UHFFFAOYSA-N 1 1 394.475 2.639 20 30 GFEDMO N#Cc1c[nH]c2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc12 ZINC001164978460 722124661 /nfs/dbraw/zinc/12/46/61/722124661.db2.gz OQRDYBJUPPSGDE-YLJYHZDGSA-N 1 1 388.475 2.557 20 30 GFEDMO N#Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1Cl ZINC000121580652 551237527 /nfs/dbraw/zinc/23/75/27/551237527.db2.gz DWRNUJPCMVYCGH-FZKQIMNGSA-N 1 1 379.913 2.849 20 30 GFEDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155254691 551495800 /nfs/dbraw/zinc/49/58/00/551495800.db2.gz SQHKARFMLPQERV-LSDHHAIUSA-N 1 1 398.326 2.568 20 30 GFEDMO CC[N@@H+](CCOc1ccc(Br)cc1)[C@@H](C)C(=O)N(C)CCC#N ZINC000159614741 551568031 /nfs/dbraw/zinc/56/80/31/551568031.db2.gz HUGZHUJVLGGUCT-AWEZNQCLSA-N 1 1 382.302 2.910 20 30 GFEDMO N#C[C@H](NC(=O)CCCC[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000171770346 551663483 /nfs/dbraw/zinc/66/34/83/551663483.db2.gz LRTGEFPYKOHHGX-INIZCTEOSA-N 1 1 380.286 2.632 20 30 GFEDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000178943256 552180339 /nfs/dbraw/zinc/18/03/39/552180339.db2.gz CFPCXJIJYZUEBU-MSOLQXFVSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000178943256 552180340 /nfs/dbraw/zinc/18/03/40/552180340.db2.gz CFPCXJIJYZUEBU-MSOLQXFVSA-N 1 1 375.881 2.935 20 30 GFEDMO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000181440295 552257084 /nfs/dbraw/zinc/25/70/84/552257084.db2.gz RFZYBHBASDEYDI-RDJZCZTQSA-N 1 1 392.297 2.585 20 30 GFEDMO C[S@](=O)C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000183090532 552300323 /nfs/dbraw/zinc/30/03/23/552300323.db2.gz RBJWARQQVRNZQO-NSYGIPOTSA-N 1 1 375.881 2.860 20 30 GFEDMO Cc1sc(NC(=O)C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c(C#N)c1C ZINC000183121927 552300813 /nfs/dbraw/zinc/30/08/13/552300813.db2.gz IBIXHHZSBLYKDN-IVCQMTBJSA-N 1 1 375.519 2.885 20 30 GFEDMO Cn1cc[nH+]c1CC1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000185317400 552361193 /nfs/dbraw/zinc/36/11/93/552361193.db2.gz LHIVBCQXHFRJDL-UHFFFAOYSA-N 1 1 378.885 2.589 20 30 GFEDMO N#Cc1ncn(C2CC[NH+](Cc3cc(Br)cc4c3OCC4)CC2)n1 ZINC000373463811 563338852 /nfs/dbraw/zinc/33/88/52/563338852.db2.gz BGRIKQKILOSOCR-UHFFFAOYSA-N 1 1 388.269 2.684 20 30 GFEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3CC34CCS(=O)(=O)CC4)sc2C1 ZINC000328894598 563467484 /nfs/dbraw/zinc/46/74/84/563467484.db2.gz UYIBZAXHDPVFMO-LBPRGKRZSA-N 1 1 383.539 2.713 20 30 GFEDMO CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3CC34CCS(=O)(=O)CC4)sc2C1 ZINC000328894598 563467490 /nfs/dbraw/zinc/46/74/90/563467490.db2.gz UYIBZAXHDPVFMO-LBPRGKRZSA-N 1 1 383.539 2.713 20 30 GFEDMO N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000329231282 563475733 /nfs/dbraw/zinc/47/57/33/563475733.db2.gz KNUSFCSUYBHYDZ-ZDUSSCGKSA-N 1 1 398.326 2.616 20 30 GFEDMO N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000329231282 563475737 /nfs/dbraw/zinc/47/57/37/563475737.db2.gz KNUSFCSUYBHYDZ-ZDUSSCGKSA-N 1 1 398.326 2.616 20 30 GFEDMO C[N@H+]1CCO[C@H]2CCN(c3c(C#N)cnc4c(Br)cccc43)C[C@H]21 ZINC000284966676 563497425 /nfs/dbraw/zinc/49/74/25/563497425.db2.gz KKVUVAULIIXISC-CVEARBPZSA-N 1 1 387.281 2.778 20 30 GFEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1ccsc1Br ZINC000330391354 563503228 /nfs/dbraw/zinc/50/32/28/563503228.db2.gz HPVHBIPUVYWTRU-LLVKDONJSA-N 1 1 390.347 2.702 20 30 GFEDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000330399500 563504147 /nfs/dbraw/zinc/50/41/47/563504147.db2.gz TYPIZRFCZHKPNH-LBPRGKRZSA-N 1 1 375.416 2.539 20 30 GFEDMO N#Cc1ccc(NC(=O)C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000428995092 563506397 /nfs/dbraw/zinc/50/63/97/563506397.db2.gz CIGOBMXCVGBJHJ-INIZCTEOSA-N 1 1 392.228 2.722 20 30 GFEDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000330897469 563526062 /nfs/dbraw/zinc/52/60/62/563526062.db2.gz UHFUMQNJQIEBEY-WDEREUQCSA-N 1 1 375.441 2.598 20 30 GFEDMO CC[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[N@@H+]1CCOC ZINC000331325751 563545611 /nfs/dbraw/zinc/54/56/11/563545611.db2.gz OKZGMUVCCGPNDI-AWEZNQCLSA-N 1 1 380.286 2.504 20 30 GFEDMO CC[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[N@H+]1CCOC ZINC000331325751 563545613 /nfs/dbraw/zinc/54/56/13/563545613.db2.gz OKZGMUVCCGPNDI-AWEZNQCLSA-N 1 1 380.286 2.504 20 30 GFEDMO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000409598391 563566366 /nfs/dbraw/zinc/56/63/66/563566366.db2.gz VFCNDBHCEXCLFT-GFCCVEGCSA-N 1 1 375.416 2.587 20 30 GFEDMO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCn2cc(Br)cn2)c(C#N)c1C ZINC000288797270 563657783 /nfs/dbraw/zinc/65/77/83/563657783.db2.gz LPPJSPGOFMSIHA-NSHDSACASA-N 1 1 394.273 2.686 20 30 GFEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCn2cc(Br)cn2)c(C#N)c1C ZINC000288797270 563657788 /nfs/dbraw/zinc/65/77/88/563657788.db2.gz LPPJSPGOFMSIHA-NSHDSACASA-N 1 1 394.273 2.686 20 30 GFEDMO N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000416469291 563833544 /nfs/dbraw/zinc/83/35/44/563833544.db2.gz IWWOWOMDWLUADV-HNNXBMFYSA-N 1 1 398.326 2.616 20 30 GFEDMO N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000416469291 563833547 /nfs/dbraw/zinc/83/35/47/563833547.db2.gz IWWOWOMDWLUADV-HNNXBMFYSA-N 1 1 398.326 2.616 20 30 GFEDMO CC[N@H+]1CC[C@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)[C@H](C)C1 ZINC000449987575 564212940 /nfs/dbraw/zinc/21/29/40/564212940.db2.gz QRPOREPEYGQNCU-DYVFJYSZSA-N 1 1 394.313 2.888 20 30 GFEDMO N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000451202092 564286526 /nfs/dbraw/zinc/28/65/26/564286526.db2.gz LXJDSHBRNIPZCQ-AWEZNQCLSA-N 1 1 392.297 2.833 20 30 GFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(Br)cc(F)c1F ZINC000566298719 564321614 /nfs/dbraw/zinc/32/16/14/564321614.db2.gz CPMSEVIWJCTBGX-UHFFFAOYSA-N 1 1 384.228 2.799 20 30 GFEDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000511032239 564355146 /nfs/dbraw/zinc/35/51/46/564355146.db2.gz RWSVHTHSRXLHMD-ZDUSSCGKSA-N 1 1 375.416 2.730 20 30 GFEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000577204026 564729000 /nfs/dbraw/zinc/72/90/00/564729000.db2.gz NNADYYWWQIXJSX-LJQANCHMSA-N 1 1 391.357 2.923 20 30 GFEDMO C[C@@]1(Br)C[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000527745972 564759373 /nfs/dbraw/zinc/75/93/73/564759373.db2.gz QZERMUZPUPXYPG-SJLPKXTDSA-N 1 1 376.298 2.766 20 30 GFEDMO C[C@@]1(Br)C[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000527745972 564759377 /nfs/dbraw/zinc/75/93/77/564759377.db2.gz QZERMUZPUPXYPG-SJLPKXTDSA-N 1 1 376.298 2.766 20 30 GFEDMO N#Cc1ccc(N2CC[NH+](CCOc3ccc(Br)cc3)CC2)nc1 ZINC000497495435 564869423 /nfs/dbraw/zinc/86/94/23/564869423.db2.gz KNOOEJFCVLMIHA-UHFFFAOYSA-N 1 1 387.281 2.917 20 30 GFEDMO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592523397 565281003 /nfs/dbraw/zinc/28/10/03/565281003.db2.gz ZOMNOABOCZNICF-QGZVFWFLSA-N 1 1 375.270 2.794 20 30 GFEDMO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592523397 565281004 /nfs/dbraw/zinc/28/10/04/565281004.db2.gz ZOMNOABOCZNICF-QGZVFWFLSA-N 1 1 375.270 2.794 20 30 GFEDMO Cn1cc(C[NH2+]Cc2c(Br)cnn2C)c(-c2ccc(C#N)cc2)n1 ZINC000618728639 565312980 /nfs/dbraw/zinc/31/29/80/565312980.db2.gz JLGCTVPOTHZHIV-UHFFFAOYSA-N 1 1 385.269 2.745 20 30 GFEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)CC[C@H]21 ZINC000593535098 565339129 /nfs/dbraw/zinc/33/91/29/565339129.db2.gz VHAZRWBZHFSJQG-RHSMWYFYSA-N 1 1 376.298 2.806 20 30 GFEDMO N#CCc1ccccc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000619572353 565349291 /nfs/dbraw/zinc/34/92/91/565349291.db2.gz YNPLSPPONLWOLH-INIZCTEOSA-N 1 1 375.519 2.930 20 30 GFEDMO C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CC[N@H+](C2CC2)C1 ZINC000593728784 565358508 /nfs/dbraw/zinc/35/85/08/565358508.db2.gz DZGVNIURACKPFA-ZDUSSCGKSA-N 1 1 376.298 2.806 20 30 GFEDMO C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3ccc(Br)cc3C#N)C2)C1 ZINC000593728639 565358619 /nfs/dbraw/zinc/35/86/19/565358619.db2.gz AQCQQVHOIJDCAJ-SFHVURJKSA-N 1 1 376.298 2.808 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000594754243 565415082 /nfs/dbraw/zinc/41/50/82/565415082.db2.gz QPEATMQXAMINDS-OAHLLOKOSA-N 1 1 375.519 2.939 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000594754243 565415087 /nfs/dbraw/zinc/41/50/87/565415087.db2.gz QPEATMQXAMINDS-OAHLLOKOSA-N 1 1 375.519 2.939 20 30 GFEDMO C[NH+]1CCC(C#N)(NC(=O)c2cc(-c3cccc(Br)c3)no2)CC1 ZINC000597164649 565554694 /nfs/dbraw/zinc/55/46/94/565554694.db2.gz CQYFDLQBNOLWMS-UHFFFAOYSA-N 1 1 389.253 2.822 20 30 GFEDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000597678994 565569822 /nfs/dbraw/zinc/56/98/22/565569822.db2.gz WVYOWWMZZAKKKT-CYBMUJFWSA-N 1 1 392.297 2.646 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000597925903 565582395 /nfs/dbraw/zinc/58/23/95/565582395.db2.gz XYOSRHIZYFSMFZ-LBPRGKRZSA-N 1 1 380.286 2.689 20 30 GFEDMO N#Cc1cc(Br)ccc1N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603422356 565905247 /nfs/dbraw/zinc/90/52/47/565905247.db2.gz GPXUQFPQUJDGGO-QGZVFWFLSA-N 1 1 393.329 2.529 20 30 GFEDMO C=CC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)Cc1ccc(OC)cc1 ZINC000735419538 598981471 /nfs/dbraw/zinc/98/14/71/598981471.db2.gz UTBMVJCKCIUOTN-UHFFFAOYSA-N 1 1 395.463 2.951 20 30 GFEDMO COc1ccc(CNc2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc23)cc1C#N ZINC000826203556 607559514 /nfs/dbraw/zinc/55/95/14/607559514.db2.gz VOOQUIJNGAIQDR-UHFFFAOYSA-N 1 1 385.431 2.946 20 30 GFEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000823910223 607921111 /nfs/dbraw/zinc/92/11/11/607921111.db2.gz ZMPAJEBGNMZINB-UHFFFAOYSA-N 1 1 393.447 2.850 20 30 GFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000824035191 608852825 /nfs/dbraw/zinc/85/28/25/608852825.db2.gz SZQIAGWBCWJGDE-MGPUTAFESA-N 1 1 390.447 2.731 20 30 GFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000824035191 608852826 /nfs/dbraw/zinc/85/28/26/608852826.db2.gz SZQIAGWBCWJGDE-MGPUTAFESA-N 1 1 390.447 2.731 20 30 GFEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccccc1 ZINC000823878444 609371066 /nfs/dbraw/zinc/37/10/66/609371066.db2.gz ZGQUVNCJBLIHOJ-UHFFFAOYSA-N 1 1 379.468 2.721 20 30 GFEDMO C=C(C)C[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccccc1 ZINC000823878444 609371068 /nfs/dbraw/zinc/37/10/68/609371068.db2.gz ZGQUVNCJBLIHOJ-UHFFFAOYSA-N 1 1 379.468 2.721 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)c1cc2c([nH]1)c(Br)ccc2OC ZINC000818609438 660230010 /nfs/dbraw/zinc/23/00/10/660230010.db2.gz WRWWRPLGFDHOTA-UHFFFAOYSA-N 1 1 378.270 2.624 20 30 GFEDMO C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000836316554 660899561 /nfs/dbraw/zinc/89/95/61/660899561.db2.gz RVZWJPTUYHHRDT-IRXDYDNUSA-N 1 1 376.298 2.907 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000836465085 660908489 /nfs/dbraw/zinc/90/84/89/660908489.db2.gz BDRCRCPSQXBCFQ-JCNLHEQBSA-N 1 1 378.314 2.949 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CC1 ZINC000266127445 654858517 /nfs/dbraw/zinc/85/85/17/654858517.db2.gz FLVWYJNQKQYNJU-UHFFFAOYSA-N 1 1 379.309 2.931 20 30 GFEDMO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000121715431 655350703 /nfs/dbraw/zinc/35/07/03/655350703.db2.gz UEELPWGUUHLFIE-LLVKDONJSA-N 1 1 379.450 2.635 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(OC)c(I)c1 ZINC000756541958 655901604 /nfs/dbraw/zinc/90/16/04/655901604.db2.gz DYUAAHKDTAUWOX-ZDUSSCGKSA-N 1 1 399.228 2.554 20 30 GFEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCCC1=[NH+]n1cc(Br)cn1 ZINC000766024151 656157872 /nfs/dbraw/zinc/15/78/72/656157872.db2.gz ANTMLTLREBTYGA-JQWIXIFHSA-N 1 1 387.278 2.799 20 30 GFEDMO C#CC1CC[NH+](CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)CC1 ZINC000842633162 661346640 /nfs/dbraw/zinc/34/66/40/661346640.db2.gz BXVHKTICDHKANP-IBGZPJMESA-N 1 1 389.293 2.768 20 30 GFEDMO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871056979 662714446 /nfs/dbraw/zinc/71/44/46/662714446.db2.gz PLQPWYMDPGHUFP-IUODEOHRSA-N 1 1 391.317 2.752 20 30 GFEDMO CSc1nnc(SC)n1[NH+]=CC(C)(C)N1C(=O)c2ccccc2C1=O ZINC000872417590 662765259 /nfs/dbraw/zinc/76/52/59/662765259.db2.gz GFGNLVZAHDDLEZ-UHFFFAOYSA-N 1 1 375.479 2.631 20 30 GFEDMO C#CC1(O)CC[NH+](Cc2cc(Br)ccc2OCCOCC)CC1 ZINC000895383438 663510996 /nfs/dbraw/zinc/51/09/96/663510996.db2.gz VLUXAOBBFSPDAU-UHFFFAOYSA-N 1 1 382.298 2.825 20 30 GFEDMO N#Cc1cnn2cc(C[NH2+]CC(=O)Nc3cc(Cl)ccc3Cl)cnc12 ZINC000917139202 664476972 /nfs/dbraw/zinc/47/69/72/664476972.db2.gz NSQHUAFLPPIRIP-UHFFFAOYSA-N 1 1 375.219 2.636 20 30 GFEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000932211107 664813917 /nfs/dbraw/zinc/81/39/17/664813917.db2.gz SAVVZLODXLOLDA-SWLSCSKDSA-N 1 1 380.286 2.870 20 30 GFEDMO O=C1OCCN1CC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932939948 664843255 /nfs/dbraw/zinc/84/32/55/664843255.db2.gz LFCRHNRDHQNJBK-OCAPTIKFSA-N 1 1 382.251 2.541 20 30 GFEDMO O=C1OCCN1CC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932939948 664843256 /nfs/dbraw/zinc/84/32/56/664843256.db2.gz LFCRHNRDHQNJBK-OCAPTIKFSA-N 1 1 382.251 2.541 20 30 GFEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cnc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835325 720520204 /nfs/dbraw/zinc/52/02/04/720520204.db2.gz JYWBGCYLDNFMQM-YQQAZPJKSA-N 1 1 385.903 2.576 20 30 GFEDMO Cc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(C#N)n1 ZINC001164840521 720695470 /nfs/dbraw/zinc/69/54/70/720695470.db2.gz FTXCGAHJCSAAOI-LJQANCHMSA-N 1 1 377.492 2.917 20 30 GFEDMO N#Cc1cc(Cl)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164741291 720824065 /nfs/dbraw/zinc/82/40/65/720824065.db2.gz NIICSZAZLCGFQQ-ATZDWAIDSA-N 1 1 397.914 2.578 20 30 GFEDMO C=CCNC(=O)c1cccnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164859720 721001680 /nfs/dbraw/zinc/00/16/80/721001680.db2.gz LUBNSDMZAWSPLK-MRXNPFEDSA-N 1 1 382.512 2.615 20 30 GFEDMO N#CCc1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164877600 721171274 /nfs/dbraw/zinc/17/12/74/721171274.db2.gz OXXKEBKJMKZCRL-ZWKOTPCHSA-N 1 1 383.883 2.676 20 30 GFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C)cc1C#N)CC2 ZINC001164790587 721451878 /nfs/dbraw/zinc/45/18/78/721451878.db2.gz ZXIQXOIZKWYCIC-NRFANRHFSA-N 1 1 398.551 2.996 20 30 GFEDMO N#Cc1cc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164985218 722098501 /nfs/dbraw/zinc/09/85/01/722098501.db2.gz VPAKCSLSLMXSJT-ZWKOTPCHSA-N 1 1 383.883 2.729 20 30 GFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCOc1ccc(Br)cc1 ZINC000535548647 532683268 /nfs/dbraw/zinc/68/32/68/532683268.db2.gz OIZNGZUUZVNOBD-UHFFFAOYSA-N 1 1 378.274 2.569 20 30 GFEDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1C ZINC000121932012 551292637 /nfs/dbraw/zinc/29/26/37/551292637.db2.gz AYQLZSSETURRBE-BXUZGUMPSA-N 1 1 375.416 2.680 20 30 GFEDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1C ZINC000121932296 551293212 /nfs/dbraw/zinc/29/32/12/551293212.db2.gz AYQLZSSETURRBE-RISCZKNCSA-N 1 1 375.416 2.680 20 30 GFEDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2C#N)[C@@H]1c1ccccc1 ZINC000178947346 552180375 /nfs/dbraw/zinc/18/03/75/552180375.db2.gz TXHSBWDEOFSVPV-AEFFLSMTSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2C#N)[C@@H]1c1ccccc1 ZINC000178947346 552180376 /nfs/dbraw/zinc/18/03/76/552180376.db2.gz TXHSBWDEOFSVPV-AEFFLSMTSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+](CCNS(=O)(=O)c1ccc(C#N)cc1Cl)Cc1ccc(F)cc1 ZINC000180088504 552212864 /nfs/dbraw/zinc/21/28/64/552212864.db2.gz SDGORYDOYBYQTF-UHFFFAOYSA-N 1 1 381.860 2.761 20 30 GFEDMO C[N@@H+](CCNS(=O)(=O)c1ccc(C#N)cc1Cl)Cc1ccc(F)cc1 ZINC000180088504 552212867 /nfs/dbraw/zinc/21/28/67/552212867.db2.gz SDGORYDOYBYQTF-UHFFFAOYSA-N 1 1 381.860 2.761 20 30 GFEDMO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180462640 552226698 /nfs/dbraw/zinc/22/66/98/552226698.db2.gz NULYPUPCTFYGEF-GFCCVEGCSA-N 1 1 396.285 2.633 20 30 GFEDMO C[N@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181104523 552246776 /nfs/dbraw/zinc/24/67/76/552246776.db2.gz WDCOPAPVTFDLIU-SFHVURJKSA-N 1 1 391.357 2.923 20 30 GFEDMO CCOc1cc(C[NH2+]C[C@H](C)C#N)cc(Br)c1OCC(=O)N(C)C ZINC000183817937 552319726 /nfs/dbraw/zinc/31/97/26/552319726.db2.gz LSIXGPJCVOEGBK-GFCCVEGCSA-N 1 1 398.301 2.564 20 30 GFEDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000379703507 563514629 /nfs/dbraw/zinc/51/46/29/563514629.db2.gz DYSASHXXSRJHSF-GOEBONIOSA-N 1 1 375.519 2.951 20 30 GFEDMO Cc1c(Cl)cc(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1Cl ZINC000330998702 563530853 /nfs/dbraw/zinc/53/08/53/563530853.db2.gz DOWLEDQKLTZVQK-UHFFFAOYSA-N 1 1 387.311 2.943 20 30 GFEDMO Cc1cc(C)c(NC(=O)N2CCC([N@@H+](C)CCO)CC2)cc1Br ZINC000331099089 563535180 /nfs/dbraw/zinc/53/51/80/563535180.db2.gz BYUXORFOFPDXFS-UHFFFAOYSA-N 1 1 384.318 3.000 20 30 GFEDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408394999 563553909 /nfs/dbraw/zinc/55/39/09/563553909.db2.gz LMIXHVOBVVCMJS-UONOGXRCSA-N 1 1 398.326 2.568 20 30 GFEDMO C=C[C@@](C)(O)CC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412968758 563677134 /nfs/dbraw/zinc/67/71/34/563677134.db2.gz HXRPVAQVWVJDQR-GOSISDBHSA-N 1 1 381.314 2.857 20 30 GFEDMO N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c(F)c1 ZINC000441372410 563759107 /nfs/dbraw/zinc/75/91/07/563759107.db2.gz PBZZZHYUQNNDIB-UHFFFAOYSA-N 1 1 385.823 2.558 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(F)cc1 ZINC000443021397 563787917 /nfs/dbraw/zinc/78/79/17/563787917.db2.gz UGGVADBEJSXCKQ-INIZCTEOSA-N 1 1 381.860 2.932 20 30 GFEDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)COc1cccc(Br)c1C#N ZINC000450028098 564213534 /nfs/dbraw/zinc/21/35/34/564213534.db2.gz ZWRCBLXGFRKKNT-ZDUSSCGKSA-N 1 1 380.286 2.642 20 30 GFEDMO N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c(F)c1 ZINC000509403255 564296966 /nfs/dbraw/zinc/29/69/66/564296966.db2.gz TWRRJVMEWKNZKK-UHFFFAOYSA-N 1 1 385.823 2.558 20 30 GFEDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000481759538 564522285 /nfs/dbraw/zinc/52/22/85/564522285.db2.gz CLWXPSLCQLTXNL-HUUCEWRRSA-N 1 1 381.270 2.863 20 30 GFEDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(C#N)cc1Br ZINC000481759538 564522290 /nfs/dbraw/zinc/52/22/90/564522290.db2.gz CLWXPSLCQLTXNL-HUUCEWRRSA-N 1 1 381.270 2.863 20 30 GFEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H](CC)Cc1ccccc1Br ZINC000481815991 564524935 /nfs/dbraw/zinc/52/49/35/564524935.db2.gz NFLLJECXSSWPLJ-AWEZNQCLSA-N 1 1 382.302 2.714 20 30 GFEDMO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000518458149 564554536 /nfs/dbraw/zinc/55/45/36/564554536.db2.gz SPVYJKWQBNCPCY-LBPRGKRZSA-N 1 1 375.416 2.730 20 30 GFEDMO C[NH+]1CCC(C#N)(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000518818126 564562854 /nfs/dbraw/zinc/56/28/54/564562854.db2.gz ZFRDPUNCSXZZBJ-UHFFFAOYSA-N 1 1 378.263 2.897 20 30 GFEDMO CSc1ccc([C@@H](CNS(=O)(=O)c2ccc(C#N)s2)[NH+](C)C)cc1 ZINC000550015185 564612340 /nfs/dbraw/zinc/61/23/40/564612340.db2.gz PQHFQMZQYJYBEJ-OAHLLOKOSA-N 1 1 381.548 2.923 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000583038366 564872679 /nfs/dbraw/zinc/87/26/79/564872679.db2.gz OWAMWLGDOSMADS-MRXNPFEDSA-N 1 1 377.535 2.743 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000558336806 564898031 /nfs/dbraw/zinc/89/80/31/564898031.db2.gz VOIPDQQTNHSSCH-SWLSCSKDSA-N 1 1 381.929 2.515 20 30 GFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000532098160 564928657 /nfs/dbraw/zinc/92/86/57/564928657.db2.gz ZGOPJCQCNGPGDC-CQSZACIVSA-N 1 1 382.302 2.768 20 30 GFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000532098160 564928661 /nfs/dbraw/zinc/92/86/61/564928661.db2.gz ZGOPJCQCNGPGDC-CQSZACIVSA-N 1 1 382.302 2.768 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470029677 565035858 /nfs/dbraw/zinc/03/58/58/565035858.db2.gz GCIPMRGHKZJZLV-WCQYABFASA-N 1 1 386.279 2.847 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470029677 565035861 /nfs/dbraw/zinc/03/58/61/565035861.db2.gz GCIPMRGHKZJZLV-WCQYABFASA-N 1 1 386.279 2.847 20 30 GFEDMO CCCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CC[N@@H+](C)C1 ZINC000592829627 565299634 /nfs/dbraw/zinc/29/96/34/565299634.db2.gz SQJLFHGFILTQOX-AWEZNQCLSA-N 1 1 380.286 2.642 20 30 GFEDMO C=C[C@H](CO)[NH2+]CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000662167184 565353267 /nfs/dbraw/zinc/35/32/67/565353267.db2.gz UOEUOZNHIAZFTF-SECBINFHSA-N 1 1 392.091 2.595 20 30 GFEDMO C[C@@H](O)C[N@H+]1CCN(c2c(C#N)cnc3c(Br)cccc32)C[C@@H]1C ZINC000619651189 565353833 /nfs/dbraw/zinc/35/38/33/565353833.db2.gz WAKPYFRVTMAIHV-QWHCGFSZSA-N 1 1 389.297 2.760 20 30 GFEDMO N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594484519 565394219 /nfs/dbraw/zinc/39/42/19/565394219.db2.gz ULHFKTDFCMMAKM-HUUCEWRRSA-N 1 1 398.326 2.616 20 30 GFEDMO N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594484516 565394905 /nfs/dbraw/zinc/39/49/05/565394905.db2.gz ULHFKTDFCMMAKM-CABCVRRESA-N 1 1 398.326 2.616 20 30 GFEDMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595610359 565485256 /nfs/dbraw/zinc/48/52/56/565485256.db2.gz XAIKBRQXSNLTHG-OAHLLOKOSA-N 1 1 394.313 2.912 20 30 GFEDMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595610359 565485259 /nfs/dbraw/zinc/48/52/59/565485259.db2.gz XAIKBRQXSNLTHG-OAHLLOKOSA-N 1 1 394.313 2.912 20 30 GFEDMO N#CC1(C[C@H](O)C[N@@H+]2CCc3ccc(Br)cc3C2)CCOCC1 ZINC000599402630 565676152 /nfs/dbraw/zinc/67/61/52/565676152.db2.gz AIDLTNSFIQBLGH-KRWDZBQOSA-N 1 1 379.298 2.879 20 30 GFEDMO N#CC1(C[C@H](O)C[N@H+]2CCc3ccc(Br)cc3C2)CCOCC1 ZINC000599402630 565676158 /nfs/dbraw/zinc/67/61/58/565676158.db2.gz AIDLTNSFIQBLGH-KRWDZBQOSA-N 1 1 379.298 2.879 20 30 GFEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)c(Br)c1 ZINC000602859592 565872180 /nfs/dbraw/zinc/87/21/80/565872180.db2.gz DKJRQKKRPNMWIL-LBPRGKRZSA-N 1 1 375.226 2.511 20 30 GFEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000609537801 566042627 /nfs/dbraw/zinc/04/26/27/566042627.db2.gz DTDTWVCWMOPHOZ-RDJZCZTQSA-N 1 1 386.323 2.899 20 30 GFEDMO C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)cc1)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000736003457 598898964 /nfs/dbraw/zinc/89/89/64/598898964.db2.gz ZJGCQYVRQAGWHT-KRWDZBQOSA-N 1 1 389.507 2.938 20 30 GFEDMO C[C@@H](CN(C)Cc1ccc(C#N)cc1)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736003457 598898966 /nfs/dbraw/zinc/89/89/66/598898966.db2.gz ZJGCQYVRQAGWHT-KRWDZBQOSA-N 1 1 389.507 2.938 20 30 GFEDMO C[C@@H](CN(C)Cc1ccc(C#N)cc1)C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736003457 598898968 /nfs/dbraw/zinc/89/89/68/598898968.db2.gz ZJGCQYVRQAGWHT-KRWDZBQOSA-N 1 1 389.507 2.938 20 30 GFEDMO CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821165397 607363607 /nfs/dbraw/zinc/36/36/07/607363607.db2.gz QXUUFCZLJMFWIA-ZDUSSCGKSA-N 1 1 393.451 2.970 20 30 GFEDMO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821165397 607363609 /nfs/dbraw/zinc/36/36/09/607363609.db2.gz QXUUFCZLJMFWIA-ZDUSSCGKSA-N 1 1 393.451 2.970 20 30 GFEDMO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000735419248 599370776 /nfs/dbraw/zinc/37/07/76/599370776.db2.gz QYHWRVVLCHBGQH-KRWDZBQOSA-N 1 1 390.491 2.902 20 30 GFEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000823919489 607490084 /nfs/dbraw/zinc/49/00/84/607490084.db2.gz HYHAWMXYWPOSDL-UHFFFAOYSA-N 1 1 380.408 2.972 20 30 GFEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000823919489 607490085 /nfs/dbraw/zinc/49/00/85/607490085.db2.gz HYHAWMXYWPOSDL-UHFFFAOYSA-N 1 1 380.408 2.972 20 30 GFEDMO CN(C)c1[nH+]cc(/C=C/C(=O)c2ccc(I)cc2)n1C ZINC000821031985 660313827 /nfs/dbraw/zinc/31/38/27/660313827.db2.gz POOMEPJQFBNYIX-CMDGGOBGSA-N 1 1 381.217 2.987 20 30 GFEDMO C#CCC[NH+]1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 ZINC000825077856 660409879 /nfs/dbraw/zinc/40/98/79/660409879.db2.gz KESHBCPVRACVAI-UHFFFAOYSA-N 1 1 390.325 2.830 20 30 GFEDMO N#Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ncc1Br ZINC000603332661 651481660 /nfs/dbraw/zinc/48/16/60/651481660.db2.gz NQWYJBOHNSVULZ-MRXNPFEDSA-N 1 1 387.281 2.894 20 30 GFEDMO C#CC1CC[NH+](CC(=O)Nc2ccc(I)cc2C)CC1 ZINC000830329973 660648812 /nfs/dbraw/zinc/64/88/12/660648812.db2.gz NWCBHRQGUDNEOG-UHFFFAOYSA-N 1 1 382.245 2.883 20 30 GFEDMO COc1ccc([C@@H]([NH2+]CC(=O)NCC#N)c2ccccc2)cc1Br ZINC000068826015 654968634 /nfs/dbraw/zinc/96/86/34/654968634.db2.gz WPQGWHAGEQKRPB-SFHVURJKSA-N 1 1 388.265 2.776 20 30 GFEDMO COC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000580005522 655506529 /nfs/dbraw/zinc/50/65/29/655506529.db2.gz MYJDCHMBBKMBTG-GOSISDBHSA-N 1 1 378.881 2.963 20 30 GFEDMO C[N@H+]1CCC[C@H](N2CCN(C(=S)Nc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000734308120 655629089 /nfs/dbraw/zinc/62/90/89/655629089.db2.gz DEFSHUKOBATMKK-INIZCTEOSA-N 1 1 377.945 2.620 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000773911686 656477031 /nfs/dbraw/zinc/47/70/31/656477031.db2.gz KDZOZGSEVBRWAB-COXVUDFISA-N 1 1 379.298 2.739 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000773911686 656477033 /nfs/dbraw/zinc/47/70/33/656477033.db2.gz KDZOZGSEVBRWAB-COXVUDFISA-N 1 1 379.298 2.739 20 30 GFEDMO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]NCc1c(Cl)cccc1Cl ZINC000793116465 658359674 /nfs/dbraw/zinc/35/96/74/658359674.db2.gz YFUMSIFFFHJLBX-UHFFFAOYSA-N 1 1 382.295 2.996 20 30 GFEDMO N#Cc1ccc(NC(=S)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000799908920 659241587 /nfs/dbraw/zinc/24/15/87/659241587.db2.gz ZMZCGQHJJCYTKH-AWEZNQCLSA-N 1 1 378.929 2.953 20 30 GFEDMO N#Cc1ccc(COC(=O)CCCC[NH+]2CCOCC2)c(Br)c1 ZINC000803514005 659585336 /nfs/dbraw/zinc/58/53/36/659585336.db2.gz ZDHNFHXUYATYSX-UHFFFAOYSA-N 1 1 381.270 2.866 20 30 GFEDMO C[N@H+](CCn1cc(Br)cn1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000808242982 659884154 /nfs/dbraw/zinc/88/41/54/659884154.db2.gz ROIQGNQJDBWKRP-UHFFFAOYSA-N 1 1 385.269 2.970 20 30 GFEDMO C[N@@H+](CCn1cc(Br)cn1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000808242982 659884155 /nfs/dbraw/zinc/88/41/55/659884155.db2.gz ROIQGNQJDBWKRP-UHFFFAOYSA-N 1 1 385.269 2.970 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000854664404 661946906 /nfs/dbraw/zinc/94/69/06/661946906.db2.gz SNOREVJMUSWQKE-UHFFFAOYSA-N 1 1 378.314 2.734 20 30 GFEDMO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2c(I)cnn2C)cc1 ZINC000865868618 662448703 /nfs/dbraw/zinc/44/87/03/662448703.db2.gz RZWWQPBONICMLV-LLVKDONJSA-N 1 1 396.232 2.605 20 30 GFEDMO Cn1ncc(I)c1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000866631123 662485833 /nfs/dbraw/zinc/48/58/33/662485833.db2.gz GFIQOTRIJZHMLP-AWEZNQCLSA-N 1 1 378.217 2.673 20 30 GFEDMO COC[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1cccc(Br)c1 ZINC000879661953 662934840 /nfs/dbraw/zinc/93/48/40/662934840.db2.gz MWHIGDNMYBCDJG-NVXWUHKLSA-N 1 1 382.302 2.781 20 30 GFEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Br)c(C#N)n2)[C@H](C)C1 ZINC000883092422 663048697 /nfs/dbraw/zinc/04/86/97/663048697.db2.gz ORAGLKWKSMVBNZ-BXUZGUMPSA-N 1 1 380.290 2.910 20 30 GFEDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883098709 663049118 /nfs/dbraw/zinc/04/91/18/663049118.db2.gz WXYBVJFLMVRCJG-UHFFFAOYSA-N 1 1 377.246 2.775 20 30 GFEDMO COc1cc(C[NH2+][C@@H]2CCCN(O)C2=O)cc(Br)c1OC(F)F ZINC000895164155 663501386 /nfs/dbraw/zinc/50/13/86/663501386.db2.gz DCWAVSRBIGAYEA-SNVBAGLBSA-N 1 1 395.200 2.529 20 30 GFEDMO Cn1nc(C(F)(F)F)c(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1Cl ZINC000895678015 663522880 /nfs/dbraw/zinc/52/28/80/663522880.db2.gz RFWYEHBIBHFLJO-RXMQYKEDSA-N 1 1 375.647 2.740 20 30 GFEDMO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902987191 663770560 /nfs/dbraw/zinc/77/05/60/663770560.db2.gz FBBCIGVFEUIPSC-ZDUSSCGKSA-N 1 1 378.885 2.544 20 30 GFEDMO CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1csc(C#N)c1 ZINC000914253818 664390942 /nfs/dbraw/zinc/39/09/42/664390942.db2.gz PKASZCSFYPKOBE-QGZVFWFLSA-N 1 1 375.519 2.656 20 30 GFEDMO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(C#N)ccc1Br)C2 ZINC000922385625 664597964 /nfs/dbraw/zinc/59/79/64/664597964.db2.gz JXKIBQJCHRPKKT-MKXGPGLRSA-N 1 1 392.341 2.890 20 30 GFEDMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(C#N)ccc1Br)C2 ZINC000922385625 664597965 /nfs/dbraw/zinc/59/79/65/664597965.db2.gz JXKIBQJCHRPKKT-MKXGPGLRSA-N 1 1 392.341 2.890 20 30 GFEDMO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)nc3N)CC2)cc1 ZINC000929235681 664748688 /nfs/dbraw/zinc/74/86/88/664748688.db2.gz BSEKLOKOCXZEIJ-UHFFFAOYSA-N 1 1 386.297 2.616 20 30 GFEDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C#N)cc2I)C1 ZINC000932556792 664828479 /nfs/dbraw/zinc/82/84/79/664828479.db2.gz VWDIGBLOHILJAL-GFCCVEGCSA-N 1 1 398.248 2.626 20 30 GFEDMO C=C(Br)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001054166378 665078222 /nfs/dbraw/zinc/07/82/22/665078222.db2.gz BAFLKRIQCSCJPX-ORVJBUBXSA-N 1 1 395.341 2.633 20 30 GFEDMO C=C(Br)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001054166378 665078225 /nfs/dbraw/zinc/07/82/25/665078225.db2.gz BAFLKRIQCSCJPX-ORVJBUBXSA-N 1 1 395.341 2.633 20 30 GFEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001164643270 719215434 /nfs/dbraw/zinc/21/54/34/719215434.db2.gz YLQOWBJGNDDVMB-WDEREUQCSA-N 1 1 386.830 2.857 20 30 GFEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001164643270 719215437 /nfs/dbraw/zinc/21/54/37/719215437.db2.gz YLQOWBJGNDDVMB-WDEREUQCSA-N 1 1 386.830 2.857 20 30 GFEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3ccc(C#N)cc31)C2 ZINC001164815265 720086422 /nfs/dbraw/zinc/08/64/22/720086422.db2.gz XTOVUFXIXQDJGF-PGRDOPGGSA-N 1 1 377.492 2.686 20 30 GFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc(C#N)c(C)n1)CC2 ZINC001164712500 720135117 /nfs/dbraw/zinc/13/51/17/720135117.db2.gz MVHMJKIUTAXZAK-IBGZPJMESA-N 1 1 392.507 2.559 20 30 GFEDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc4c(cc3C#N)CCCC4(C)C)CC[C@H]2C1 ZINC001164853002 720890106 /nfs/dbraw/zinc/89/01/06/720890106.db2.gz BJMMBJTZLAJXAE-AZUAARDMSA-N 1 1 398.551 2.741 20 30 GFEDMO N#CCc1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164877598 721171719 /nfs/dbraw/zinc/17/17/19/721171719.db2.gz OXXKEBKJMKZCRL-QZTJIDSGSA-N 1 1 383.883 2.676 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(C#N)c(Cl)cc4Cl)C[C@@H]3C2)cn1 ZINC001164759768 721231675 /nfs/dbraw/zinc/23/16/75/721231675.db2.gz BPBOTAVWWCCIEO-KGLIPLIRSA-N 1 1 391.306 2.952 20 30 GFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C#N)cc(C)n3)C2)C1 ZINC001164781340 721372341 /nfs/dbraw/zinc/37/23/41/721372341.db2.gz ITJNOVJHPCQHQP-JOCHJYFZSA-N 1 1 395.507 2.986 20 30 GFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C#N)cc(C)n3)C2)C1 ZINC001164781340 721372344 /nfs/dbraw/zinc/37/23/44/721372344.db2.gz ITJNOVJHPCQHQP-JOCHJYFZSA-N 1 1 395.507 2.986 20 30 GFEDMO N#Cc1cc(C#N)c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164902552 721532200 /nfs/dbraw/zinc/53/22/00/721532200.db2.gz AIADZMSGYFBNQL-SJLPKXTDSA-N 1 1 397.841 2.959 20 30 GFEDMO N#Cc1c[nH]c2nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)ccc12 ZINC001164905863 721538960 /nfs/dbraw/zinc/53/89/60/721538960.db2.gz JJNRLZGCAKANKB-SJLPKXTDSA-N 1 1 377.423 2.916 20 30 GFEDMO Cc1nc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1C#N ZINC001164808748 721556964 /nfs/dbraw/zinc/55/69/64/721556964.db2.gz VNSZVZAQTGUHOE-SQNIBIBYSA-N 1 1 398.898 2.573 20 30 GFEDMO Cc1nc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1C#N ZINC001164808748 721556969 /nfs/dbraw/zinc/55/69/69/721556969.db2.gz VNSZVZAQTGUHOE-SQNIBIBYSA-N 1 1 398.898 2.573 20 30 GFEDMO Cc1nc(C#N)cnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906467 721719325 /nfs/dbraw/zinc/71/93/25/721719325.db2.gz MDERGNBQPGBVQR-LJQANCHMSA-N 1 1 384.434 2.789 20 30 GFEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4[nH]cc(C#N)c43)C[C@@H]21 ZINC001165026294 721799464 /nfs/dbraw/zinc/79/94/64/721799464.db2.gz QIRKSIPHMMKFQA-AYOQOUSVSA-N 1 1 387.491 2.961 20 30 GFEDMO C=CC[NH+]1CCN(c2ccc3c(=O)n(Cc4ccc(OC)cc4)cc-3[nH]2)CC1 ZINC001165031923 721869945 /nfs/dbraw/zinc/86/99/45/721869945.db2.gz DGMWEHNLIJYTKY-UHFFFAOYSA-N 1 1 378.476 2.554 20 30 GFEDMO N#Cc1cc2c(nc1N1CCC3(CC[N@@H+](Cc4cccnc4)C3)CC1)CCOC2 ZINC001164961377 722023304 /nfs/dbraw/zinc/02/33/04/722023304.db2.gz NJYKDHIEBQCBFZ-UHFFFAOYSA-N 1 1 389.503 2.913 20 30 GFEDMO N#Cc1ncc(Cl)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961220 722053952 /nfs/dbraw/zinc/05/39/52/722053952.db2.gz WIPFAFKZPHSCGM-UHFFFAOYSA-N 1 1 398.898 2.516 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+](C)CCCC(=O)NC)cc1OC ZINC000093717826 551195801 /nfs/dbraw/zinc/19/58/01/551195801.db2.gz GFXJJRCAMVHGCK-UHFFFAOYSA-N 1 1 385.302 2.981 20 30 GFEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181104500 552246871 /nfs/dbraw/zinc/24/68/71/552246871.db2.gz WDCOPAPVTFDLIU-GOSISDBHSA-N 1 1 391.357 2.923 20 30 GFEDMO CN(C(=O)C[NH2+][C@@H](CO)c1cccc(Br)c1)C1(C#N)CCCCC1 ZINC000183906924 552322126 /nfs/dbraw/zinc/32/21/26/552322126.db2.gz KMABUEGVCWSSHR-INIZCTEOSA-N 1 1 394.313 2.757 20 30 GFEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cc(C#N)ccc1Br ZINC000191817495 552539115 /nfs/dbraw/zinc/53/91/15/552539115.db2.gz GFAZSUGTRJEHNK-UHFFFAOYSA-N 1 1 379.346 2.779 20 30 GFEDMO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(C#N)ccc1Br ZINC000191817495 552539117 /nfs/dbraw/zinc/53/91/17/552539117.db2.gz GFAZSUGTRJEHNK-UHFFFAOYSA-N 1 1 379.346 2.779 20 30 GFEDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccccc2C#N)[C@H]1c1cccs1 ZINC000246075710 553101808 /nfs/dbraw/zinc/10/18/08/553101808.db2.gz FPCKKYYSIUTRNM-QAPCUYQASA-N 1 1 375.519 2.981 20 30 GFEDMO N#Cc1cccnc1N1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000247648259 553124612 /nfs/dbraw/zinc/12/46/12/553124612.db2.gz LDGYXYOUAXAILP-UHFFFAOYSA-N 1 1 387.281 2.917 20 30 GFEDMO N#Cc1ccc(C[NH+]2CCC(N3C(=O)CCCC3=O)CC2)c(Br)c1 ZINC000375319051 563399875 /nfs/dbraw/zinc/39/98/75/563399875.db2.gz MPBIDVZVCBXXIX-UHFFFAOYSA-N 1 1 390.281 2.824 20 30 GFEDMO CC1=CC[N@@H+](CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000329086015 563472555 /nfs/dbraw/zinc/47/25/55/563472555.db2.gz GOQIUMGYSKYCLP-HNNXBMFYSA-N 1 1 383.539 2.510 20 30 GFEDMO COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000330577383 563511704 /nfs/dbraw/zinc/51/17/04/563511704.db2.gz RNFGFXHFKBYNSS-WDEREUQCSA-N 1 1 376.284 2.934 20 30 GFEDMO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000380813941 563515772 /nfs/dbraw/zinc/51/57/72/563515772.db2.gz UQEZCBZEFIWYFP-INIZCTEOSA-N 1 1 375.881 2.764 20 30 GFEDMO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000380813941 563515774 /nfs/dbraw/zinc/51/57/74/563515774.db2.gz UQEZCBZEFIWYFP-INIZCTEOSA-N 1 1 375.881 2.764 20 30 GFEDMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(F)c(Br)cc2F)[C@@H](C)C1 ZINC000331206137 563539922 /nfs/dbraw/zinc/53/99/22/563539922.db2.gz ZKNHUACLLAJGOX-UWVGGRQHSA-N 1 1 392.244 2.660 20 30 GFEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cc(F)c(Br)cc2F)[C@@H](C)C1 ZINC000331206137 563539923 /nfs/dbraw/zinc/53/99/23/563539923.db2.gz ZKNHUACLLAJGOX-UWVGGRQHSA-N 1 1 392.244 2.660 20 30 GFEDMO N#Cc1c(NC(=O)CC[N@H+](CCO)[C@H]2CCCSC2)sc2c1CCC2 ZINC000411669813 563629000 /nfs/dbraw/zinc/62/90/00/563629000.db2.gz QRNZLHNJIGVHBP-ZDUSSCGKSA-N 1 1 379.551 2.627 20 30 GFEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c1 ZINC000411969742 563642657 /nfs/dbraw/zinc/64/26/57/563642657.db2.gz QTUWLAQJHGVURN-IBGZPJMESA-N 1 1 384.277 2.950 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(F)cc1 ZINC000443021401 563788079 /nfs/dbraw/zinc/78/80/79/563788079.db2.gz UGGVADBEJSXCKQ-MRXNPFEDSA-N 1 1 381.860 2.932 20 30 GFEDMO N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000416469292 563833617 /nfs/dbraw/zinc/83/36/17/563833617.db2.gz IWWOWOMDWLUADV-OAHLLOKOSA-N 1 1 398.326 2.616 20 30 GFEDMO N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000416469292 563833619 /nfs/dbraw/zinc/83/36/19/563833619.db2.gz IWWOWOMDWLUADV-OAHLLOKOSA-N 1 1 398.326 2.616 20 30 GFEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(Br)cc2C#N)C[C@H](C)O1 ZINC000448620490 563898984 /nfs/dbraw/zinc/89/89/84/563898984.db2.gz FEFKQMKEIQDQKU-STQMWFEESA-N 1 1 394.313 2.938 20 30 GFEDMO CCOCC[N@@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1C ZINC000449881603 564208021 /nfs/dbraw/zinc/20/80/21/564208021.db2.gz FLFJTOQFQZJBFF-ZDUSSCGKSA-N 1 1 380.286 2.504 20 30 GFEDMO CCOCC[N@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1C ZINC000449881603 564208023 /nfs/dbraw/zinc/20/80/23/564208023.db2.gz FLFJTOQFQZJBFF-ZDUSSCGKSA-N 1 1 380.286 2.504 20 30 GFEDMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H]1CC ZINC000449918573 564208468 /nfs/dbraw/zinc/20/84/68/564208468.db2.gz ZSWGFRBVHHMQJZ-INIZCTEOSA-N 1 1 394.313 2.894 20 30 GFEDMO CCOCC[N@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H]1CC ZINC000449918573 564208474 /nfs/dbraw/zinc/20/84/74/564208474.db2.gz ZSWGFRBVHHMQJZ-INIZCTEOSA-N 1 1 394.313 2.894 20 30 GFEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000451882205 564362394 /nfs/dbraw/zinc/36/23/94/564362394.db2.gz CJCHLUYAVOIHAO-XHDPSFHLSA-N 1 1 375.778 2.785 20 30 GFEDMO CN(C1CC[NH+](CCC(F)(F)F)CC1)S(=O)(=O)c1ccccc1C#N ZINC000452096570 564391929 /nfs/dbraw/zinc/39/19/29/564391929.db2.gz OHTVSUUTKXHXRB-UHFFFAOYSA-N 1 1 375.416 2.596 20 30 GFEDMO C=C[C@](C)(O)CC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456361907 564602723 /nfs/dbraw/zinc/60/27/23/564602723.db2.gz DBUUEUFWCRKJBI-ACJLOTCBSA-N 1 1 396.329 2.855 20 30 GFEDMO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000486614820 564658162 /nfs/dbraw/zinc/65/81/62/564658162.db2.gz ALYCXKKCXDIEHF-OAHLLOKOSA-N 1 1 375.416 2.538 20 30 GFEDMO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000486614820 564658166 /nfs/dbraw/zinc/65/81/66/564658166.db2.gz ALYCXKKCXDIEHF-OAHLLOKOSA-N 1 1 375.416 2.538 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000573959021 564661746 /nfs/dbraw/zinc/66/17/46/564661746.db2.gz FLBMEOAIPZKFRD-CHWSQXEVSA-N 1 1 381.929 2.658 20 30 GFEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487882727 564698010 /nfs/dbraw/zinc/69/80/10/564698010.db2.gz PSQQCQZPKBZXLI-CQSZACIVSA-N 1 1 381.274 2.553 20 30 GFEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487965076 564700636 /nfs/dbraw/zinc/70/06/36/564700636.db2.gz DFNXTAVIQATLRL-LBPRGKRZSA-N 1 1 395.301 2.630 20 30 GFEDMO C=CC1CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CC1 ZINC000467229109 564959230 /nfs/dbraw/zinc/95/92/30/564959230.db2.gz JHWGZEXPWWJBJC-UHFFFAOYSA-N 1 1 394.313 2.874 20 30 GFEDMO N#Cc1cc(Br)ccc1C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000590626219 565195028 /nfs/dbraw/zinc/19/50/28/565195028.db2.gz DGEQGTSBMKMWRL-INIZCTEOSA-N 1 1 392.297 2.648 20 30 GFEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccsc1C#N ZINC000593559400 565341360 /nfs/dbraw/zinc/34/13/60/565341360.db2.gz ZYJGDRWJQNXZPW-HNNXBMFYSA-N 1 1 375.519 2.905 20 30 GFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccsc1C#N ZINC000593559400 565341365 /nfs/dbraw/zinc/34/13/65/565341365.db2.gz ZYJGDRWJQNXZPW-HNNXBMFYSA-N 1 1 375.519 2.905 20 30 GFEDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000619445781 565341489 /nfs/dbraw/zinc/34/14/89/565341489.db2.gz QWJLPPHAZWKAGI-UHFFFAOYSA-N 1 1 378.263 2.997 20 30 GFEDMO N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594484517 565394526 /nfs/dbraw/zinc/39/45/26/565394526.db2.gz ULHFKTDFCMMAKM-GJZGRUSLSA-N 1 1 398.326 2.616 20 30 GFEDMO C=CC1CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)CC1 ZINC000595935673 565500255 /nfs/dbraw/zinc/50/02/55/565500255.db2.gz IKAJRFQHIICXTR-UHFFFAOYSA-N 1 1 388.274 2.994 20 30 GFEDMO C[N@@H+](CCOc1ccc(Br)cc1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599260130 565665207 /nfs/dbraw/zinc/66/52/07/565665207.db2.gz AFEHYHCGQPKXKB-MRXNPFEDSA-N 1 1 397.313 2.831 20 30 GFEDMO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000599475893 565683147 /nfs/dbraw/zinc/68/31/47/565683147.db2.gz YRMBRXYOLXPUOW-CJNGLKHVSA-N 1 1 381.259 2.928 20 30 GFEDMO C[N@H+]1CCCC[C@@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000600313215 565723367 /nfs/dbraw/zinc/72/33/67/565723367.db2.gz IWEQCONHDIKHAS-ZDUSSCGKSA-N 1 1 380.286 2.548 20 30 GFEDMO C=CC[C@@H]1CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000602528949 565852075 /nfs/dbraw/zinc/85/20/75/565852075.db2.gz CYEYTJFWKTVFSE-SECBINFHSA-N 1 1 388.274 2.994 20 30 GFEDMO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+](CCC#N)CC(C)(C)C ZINC000737524604 598851635 /nfs/dbraw/zinc/85/16/35/598851635.db2.gz OEIMJXQYESQDLS-UHFFFAOYSA-N 1 1 379.472 2.653 20 30 GFEDMO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+](CCC#N)CC(C)(C)C ZINC000737524604 598851637 /nfs/dbraw/zinc/85/16/37/598851637.db2.gz OEIMJXQYESQDLS-UHFFFAOYSA-N 1 1 379.472 2.653 20 30 GFEDMO C#CC[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C1CCCC1 ZINC000819702008 606784709 /nfs/dbraw/zinc/78/47/09/606784709.db2.gz RDCXWXLKEPPCTO-UHFFFAOYSA-N 1 1 384.509 2.623 20 30 GFEDMO C=CC[N@H+](Cc1ccccc1F)Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000823919957 607920963 /nfs/dbraw/zinc/92/09/63/607920963.db2.gz UMZCTXMGPVKETJ-UHFFFAOYSA-N 1 1 381.411 2.981 20 30 GFEDMO C=CC[N@@H+](Cc1ccccc1F)Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000823919957 607920964 /nfs/dbraw/zinc/92/09/64/607920964.db2.gz UMZCTXMGPVKETJ-UHFFFAOYSA-N 1 1 381.411 2.981 20 30 GFEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)Cc2cccc(C#N)c2)c1-c1nn[nH]n1 ZINC000826332259 608309334 /nfs/dbraw/zinc/30/93/34/608309334.db2.gz OUQMATYDMFUXBL-UHFFFAOYSA-N 1 1 384.447 2.865 20 30 GFEDMO C#CCC[NH+]1CCN(C(=O)CCc2ccc(OC)cc2Br)CC1 ZINC000825077789 660409737 /nfs/dbraw/zinc/40/97/37/660409737.db2.gz IGKOANYCIFXNRT-UHFFFAOYSA-N 1 1 379.298 2.558 20 30 GFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000125458315 654795495 /nfs/dbraw/zinc/79/54/95/654795495.db2.gz RDWATLXNCFCXPD-UHFFFAOYSA-N 1 1 381.267 2.673 20 30 GFEDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000266199621 654862524 /nfs/dbraw/zinc/86/25/24/654862524.db2.gz OGHALCMAESADFA-FZMZJTMJSA-N 1 1 375.416 2.538 20 30 GFEDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1C ZINC000266232254 654865037 /nfs/dbraw/zinc/86/50/37/654865037.db2.gz UQWWGZSTBNBGPI-DGCLKSJQSA-N 1 1 375.416 2.680 20 30 GFEDMO C#CC[NH+]1CCN(Cn2ccn(-c3ccc(Br)cc3)c2=S)CC1 ZINC000071852640 655001084 /nfs/dbraw/zinc/00/10/84/655001084.db2.gz LKRIBQCJKUHEQK-UHFFFAOYSA-N 1 1 391.338 2.979 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](C(=O)NC)C2)cc1OC ZINC000093360913 655018558 /nfs/dbraw/zinc/01/85/58/655018558.db2.gz FQFFWDXVFKMDGR-AWEZNQCLSA-N 1 1 397.313 2.981 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](C(=O)NC)C2)cc1OC ZINC000093360913 655018559 /nfs/dbraw/zinc/01/85/59/655018559.db2.gz FQFFWDXVFKMDGR-AWEZNQCLSA-N 1 1 397.313 2.981 20 30 GFEDMO N#Cc1ccc([C@@H](O)C[N@H+](CCO)Cc2cc(Br)cs2)cc1 ZINC000755179732 655880863 /nfs/dbraw/zinc/88/08/63/655880863.db2.gz JQYRHLCKWFQGHU-INIZCTEOSA-N 1 1 381.295 2.910 20 30 GFEDMO C[NH+]1CCN(c2ncc(C=NNCc3cccc(Cl)c3Cl)cn2)CC1 ZINC000790184645 657935417 /nfs/dbraw/zinc/93/54/17/657935417.db2.gz ZDTXCCRZWYDFEW-UHFFFAOYSA-N 1 1 379.295 2.659 20 30 GFEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@H](O)c3ccccc3Br)C2)nc1 ZINC000794832723 658620058 /nfs/dbraw/zinc/62/00/58/658620058.db2.gz MUCPDJQZQDGROW-YOEHRIQHSA-N 1 1 388.265 2.902 20 30 GFEDMO N#Cc1ccc(O[C@H]2CC[N@H+](C[C@H](O)c3ccccc3Br)C2)nc1 ZINC000794832723 658620066 /nfs/dbraw/zinc/62/00/66/658620066.db2.gz MUCPDJQZQDGROW-YOEHRIQHSA-N 1 1 388.265 2.902 20 30 GFEDMO C#CC[N@H+](CC[C@@H]1CCNC1=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000846804090 661566586 /nfs/dbraw/zinc/56/65/86/661566586.db2.gz IGPLIBAPFIEMQA-XJKSGUPXSA-N 1 1 377.282 2.734 20 30 GFEDMO C#CCN(C[C@H](O)C[N@H+](C)C(C)C)[C@H]1CCOc2ccc(Br)cc21 ZINC000851771409 661831370 /nfs/dbraw/zinc/83/13/70/661831370.db2.gz DOQWWCDJIRDLRJ-AEFFLSMTSA-N 1 1 395.341 2.909 20 30 GFEDMO Cn1c(C=NNCCC[NH+]2CCOCC2)c(Br)c2ccccc21 ZINC000853343145 661887770 /nfs/dbraw/zinc/88/77/70/661887770.db2.gz VPIKZIZWVKLBSE-UHFFFAOYSA-N 1 1 379.302 2.587 20 30 GFEDMO CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1ccc([N+](=O)[O-])cc1Br ZINC000857212091 662068233 /nfs/dbraw/zinc/06/82/33/662068233.db2.gz RXLJMSMGSVDKFH-OKILXGFUSA-N 1 1 380.246 2.941 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867807834 662577973 /nfs/dbraw/zinc/57/79/73/662577973.db2.gz DYUDBMQMOXPMLT-GDBMZVCRSA-N 1 1 375.519 2.796 20 30 GFEDMO C[C@@](O)(C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)C(F)F ZINC000886100599 663103204 /nfs/dbraw/zinc/10/32/04/663103204.db2.gz SDWHPQTVDYCCIN-GDBMZVCRSA-N 1 1 388.256 2.647 20 30 GFEDMO C[N@H+]1CCC[C@H](CNC(=O)NCc2nc(C#N)cs2)[C@@H]1c1cccs1 ZINC000893198946 663401187 /nfs/dbraw/zinc/40/11/87/663401187.db2.gz JESFTWGTGVILPH-MLGOLLRUSA-N 1 1 375.523 2.959 20 30 GFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1csc(C#N)c1 ZINC000914374954 664404421 /nfs/dbraw/zinc/40/44/21/664404421.db2.gz ROIBMVPMWGMLEG-KDOFPFPSSA-N 1 1 375.519 2.560 20 30 GFEDMO CSc1ccc(CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cc1C#N ZINC000924039962 664645160 /nfs/dbraw/zinc/64/51/60/664645160.db2.gz FRTWALDLXRRNHL-JKSUJKDBSA-N 1 1 376.551 2.659 20 30 GFEDMO CN(C(=O)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1CC1 ZINC000932948686 664844400 /nfs/dbraw/zinc/84/44/00/664844400.db2.gz LYBVIPTVXOXLOS-IUCAKERBSA-N 1 1 380.279 2.710 20 30 GFEDMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C ZINC001043571589 665076376 /nfs/dbraw/zinc/07/63/76/665076376.db2.gz NLLATOYDKONXAO-ZMJPVWNMSA-N 1 1 381.933 2.657 20 30 GFEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3ccc(C#N)cc31)C2 ZINC001164815264 720085959 /nfs/dbraw/zinc/08/59/59/720085959.db2.gz XTOVUFXIXQDJGF-GCJKJVERSA-N 1 1 377.492 2.686 20 30 GFEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc(Cl)c3C#N)CC[C@@H]21 ZINC001164836110 720520527 /nfs/dbraw/zinc/52/05/27/720520527.db2.gz MPUAPGZFGIWROH-ZOBUZTSGSA-N 1 1 385.903 2.576 20 30 GFEDMO CCCc1cc(C#N)c(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)nc1Cl ZINC001164853079 720861166 /nfs/dbraw/zinc/86/11/66/720861166.db2.gz GJHKWICSDDBVEE-AEFFLSMTSA-N 1 1 392.931 2.733 20 30 GFEDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4cccs4)ccc3C#N)CC[C@H]2C1 ZINC001164864765 720878037 /nfs/dbraw/zinc/87/80/37/720878037.db2.gz XBPHXGFHBARIBN-PKOBYXMFSA-N 1 1 398.532 2.855 20 30 GFEDMO N#Cc1c2c(cnc1N1CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C1)CCCC2 ZINC001164866512 721190885 /nfs/dbraw/zinc/19/08/85/721190885.db2.gz BSGZDWHKOYTZPR-PMACEKPBSA-N 1 1 389.503 2.707 20 30 GFEDMO Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cnc1C#N ZINC001164905595 721718903 /nfs/dbraw/zinc/71/89/03/721718903.db2.gz HVIQOUSXNUBKSW-LJQANCHMSA-N 1 1 384.434 2.789 20 30 GFEDMO N#Cc1cc2c(nc1N1CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C1)CCC2 ZINC001164981626 722141087 /nfs/dbraw/zinc/14/10/87/722141087.db2.gz PQFCDTHAYWZCOA-UGKGYDQZSA-N 1 1 389.503 2.564 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1OC ZINC000155031235 551489319 /nfs/dbraw/zinc/48/93/19/551489319.db2.gz DQGJLYZNDXTKEL-ZDUSSCGKSA-N 1 1 383.286 2.720 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1OC ZINC000155031235 551489320 /nfs/dbraw/zinc/48/93/20/551489320.db2.gz DQGJLYZNDXTKEL-ZDUSSCGKSA-N 1 1 383.286 2.720 20 30 GFEDMO C[N@@H+](CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C1CCCC1 ZINC000157274493 551536050 /nfs/dbraw/zinc/53/60/50/551536050.db2.gz UKBXCYOMXIPQLP-UHFFFAOYSA-N 1 1 375.416 2.730 20 30 GFEDMO N#Cc1cc(F)ccc1S(=O)(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000157620921 551540551 /nfs/dbraw/zinc/54/05/51/551540551.db2.gz NYIRKPPXDYEWKU-UHFFFAOYSA-N 1 1 379.482 2.702 20 30 GFEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000157731480 551541645 /nfs/dbraw/zinc/54/16/45/551541645.db2.gz FCUPOOOXAMVKHO-UONOGXRCSA-N 1 1 390.285 2.938 20 30 GFEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000157731480 551541647 /nfs/dbraw/zinc/54/16/47/551541647.db2.gz FCUPOOOXAMVKHO-UONOGXRCSA-N 1 1 390.285 2.938 20 30 GFEDMO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000183102929 552300596 /nfs/dbraw/zinc/30/05/96/552300596.db2.gz OUYDEUGIQXFROQ-UHFFFAOYSA-N 1 1 379.869 2.953 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1cccc(F)c1 ZINC000186082135 552378486 /nfs/dbraw/zinc/37/84/86/552378486.db2.gz HZVZYSMSHFBDKV-MRXNPFEDSA-N 1 1 381.860 2.932 20 30 GFEDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2C#N)[C@H]1c1ccccc1 ZINC000245675909 553094769 /nfs/dbraw/zinc/09/47/69/553094769.db2.gz TXHSBWDEOFSVPV-FUHWJXTLSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2C#N)[C@H]1c1ccccc1 ZINC000245675909 553094771 /nfs/dbraw/zinc/09/47/71/553094771.db2.gz TXHSBWDEOFSVPV-FUHWJXTLSA-N 1 1 375.881 2.935 20 30 GFEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000245971379 553100384 /nfs/dbraw/zinc/10/03/84/553100384.db2.gz APRFHRCETHMHKQ-UKRRQHHQSA-N 1 1 382.302 2.822 20 30 GFEDMO N#CCCN(C(=O)C[N@@H+]1CCS[C@@H]2COCC[C@H]21)c1cccc(Cl)c1 ZINC000246809669 553113589 /nfs/dbraw/zinc/11/35/89/553113589.db2.gz JJQCPWRLIGQKCC-IAGOWNOFSA-N 1 1 379.913 2.793 20 30 GFEDMO N#CCCN(C(=O)C[N@H+]1CCS[C@@H]2COCC[C@H]21)c1cccc(Cl)c1 ZINC000246809669 553113591 /nfs/dbraw/zinc/11/35/91/553113591.db2.gz JJQCPWRLIGQKCC-IAGOWNOFSA-N 1 1 379.913 2.793 20 30 GFEDMO Cn1ncc(Br)c1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000278452549 563256328 /nfs/dbraw/zinc/25/63/28/563256328.db2.gz NJETZIDUYZPLBC-UHFFFAOYSA-N 1 1 388.313 2.762 20 30 GFEDMO COC(=O)CC[N@@H+](Cc1ccc(Br)cc1C#N)C[C@@H]1CCCO1 ZINC000323358429 563450991 /nfs/dbraw/zinc/45/09/91/563450991.db2.gz WCALPUDFPVZZIB-INIZCTEOSA-N 1 1 381.270 2.865 20 30 GFEDMO COC(=O)CC[N@H+](Cc1ccc(Br)cc1C#N)C[C@@H]1CCCO1 ZINC000323358429 563450993 /nfs/dbraw/zinc/45/09/93/563450993.db2.gz WCALPUDFPVZZIB-INIZCTEOSA-N 1 1 381.270 2.865 20 30 GFEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000329239175 563476930 /nfs/dbraw/zinc/47/69/30/563476930.db2.gz QDJSXTBLCYJFIV-CABCVRRESA-N 1 1 385.555 2.732 20 30 GFEDMO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC[N@H+]1C ZINC000329641885 563484873 /nfs/dbraw/zinc/48/48/73/563484873.db2.gz CSOGKPVDWZHIEQ-SOUVJXGZSA-N 1 1 385.555 2.588 20 30 GFEDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000329962475 563492078 /nfs/dbraw/zinc/49/20/78/563492078.db2.gz PGLODLMUTOOFSH-CABCVRRESA-N 1 1 395.301 2.771 20 30 GFEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000428994311 563505959 /nfs/dbraw/zinc/50/59/59/563505959.db2.gz FKKOFDUAAQTANO-WBMJQRKESA-N 1 1 385.277 2.800 20 30 GFEDMO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000380813942 563515127 /nfs/dbraw/zinc/51/51/27/563515127.db2.gz UQEZCBZEFIWYFP-MRXNPFEDSA-N 1 1 375.881 2.764 20 30 GFEDMO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000380813942 563515129 /nfs/dbraw/zinc/51/51/29/563515129.db2.gz UQEZCBZEFIWYFP-MRXNPFEDSA-N 1 1 375.881 2.764 20 30 GFEDMO C[C@H](NS(=O)(=O)c1ccc(C#N)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386616586 563519032 /nfs/dbraw/zinc/51/90/32/563519032.db2.gz NHQSTUHVKQFUMB-HOCLYGCPSA-N 1 1 375.519 2.809 20 30 GFEDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(Br)cnc2N(C)C)C[C@H](C)O1 ZINC000330744801 563519460 /nfs/dbraw/zinc/51/94/60/563519460.db2.gz VDMPIYWQSDWJFP-BETUJISGSA-N 1 1 399.333 2.714 20 30 GFEDMO COCC[N@@H+]1CCN(C(=O)Nc2ccc(OC)c(Br)c2)C[C@H]1C ZINC000330807805 563522582 /nfs/dbraw/zinc/52/25/82/563522582.db2.gz AJIGFZRDQXEWSC-GFCCVEGCSA-N 1 1 386.290 2.656 20 30 GFEDMO COCC[N@H+]1CCN(C(=O)Nc2ccc(OC)c(Br)c2)C[C@H]1C ZINC000330807805 563522585 /nfs/dbraw/zinc/52/25/85/563522585.db2.gz AJIGFZRDQXEWSC-GFCCVEGCSA-N 1 1 386.290 2.656 20 30 GFEDMO CC(C)[C@@H](CNC(=O)Nc1ncc(C(F)(F)F)s1)N1CC[NH+](C)CC1 ZINC000331206126 563539943 /nfs/dbraw/zinc/53/99/43/563539943.db2.gz ZKGCJPMAJQETFM-LLVKDONJSA-N 1 1 379.452 2.760 20 30 GFEDMO CC(C)Oc1ccc(Br)cc1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000331227027 563541564 /nfs/dbraw/zinc/54/15/64/563541564.db2.gz YJMYNQCKJHSGFQ-AWEZNQCLSA-N 1 1 399.333 2.808 20 30 GFEDMO C=C[C@@](C)(O)CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000290481121 563711148 /nfs/dbraw/zinc/71/11/48/563711148.db2.gz KTBCASJWTYTBLZ-GOSISDBHSA-N 1 1 381.314 2.857 20 30 GFEDMO C=C[C@](C)(O)CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000290481122 563711310 /nfs/dbraw/zinc/71/13/10/563711310.db2.gz KTBCASJWTYTBLZ-SFHVURJKSA-N 1 1 381.314 2.857 20 30 GFEDMO C=CCN(Cc1cc(Br)ccc1F)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414752120 563751770 /nfs/dbraw/zinc/75/17/70/563751770.db2.gz TYUPETAKLFTLCD-CQSZACIVSA-N 1 1 398.320 2.774 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C)c(Br)cc2F)CC1 ZINC000416385887 563821340 /nfs/dbraw/zinc/82/13/40/563821340.db2.gz JTRCPPOGQLGRIO-UHFFFAOYSA-N 1 1 391.306 2.825 20 30 GFEDMO C=CC[N@@H+](CCOC)Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449281163 564179054 /nfs/dbraw/zinc/17/90/54/564179054.db2.gz BUXLWJWBOFHBIL-ZDUSSCGKSA-N 1 1 385.302 2.597 20 30 GFEDMO C=CC[N@H+](CCOC)Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449281163 564179055 /nfs/dbraw/zinc/17/90/55/564179055.db2.gz BUXLWJWBOFHBIL-ZDUSSCGKSA-N 1 1 385.302 2.597 20 30 GFEDMO CC(C)[N@H+]1CCC[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000450929518 564256250 /nfs/dbraw/zinc/25/62/50/564256250.db2.gz JQKNKXUZGVMFJM-AWEZNQCLSA-N 1 1 380.286 2.689 20 30 GFEDMO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000509422896 564298322 /nfs/dbraw/zinc/29/83/22/564298322.db2.gz DRGLYHDCFWLSKA-YOEHRIQHSA-N 1 1 384.933 2.545 20 30 GFEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@]3(CCSC3)C1)CCC2 ZINC000567791348 564388537 /nfs/dbraw/zinc/38/85/37/564388537.db2.gz OQHQCTMQHHBIMA-GOSISDBHSA-N 1 1 377.535 2.645 20 30 GFEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@]3(CCSC3)C1)CCC2 ZINC000567791348 564388541 /nfs/dbraw/zinc/38/85/41/564388541.db2.gz OQHQCTMQHHBIMA-GOSISDBHSA-N 1 1 377.535 2.645 20 30 GFEDMO C[N@H+]1CCC[C@]2(CCN(C(=O)COc3cccc(Br)c3C#N)C2)C1 ZINC000452145706 564396010 /nfs/dbraw/zinc/39/60/10/564396010.db2.gz DMXNYXKTCLQBMD-SFHVURJKSA-N 1 1 392.297 2.644 20 30 GFEDMO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000516162039 564495349 /nfs/dbraw/zinc/49/53/49/564495349.db2.gz ZQOCIXQUZWGNMN-RHSMWYFYSA-N 1 1 384.933 2.545 20 30 GFEDMO CC(C)[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)[NH+]1CCOCC1 ZINC000487857572 564698029 /nfs/dbraw/zinc/69/80/29/564698029.db2.gz OZFSOMLWZZMXCS-INIZCTEOSA-N 1 1 395.301 2.799 20 30 GFEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](CCO)c1ccccc1Br ZINC000581063732 564786142 /nfs/dbraw/zinc/78/61/42/564786142.db2.gz WOQUTYKKRNUOLL-RDJZCZTQSA-N 1 1 382.302 2.517 20 30 GFEDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000581695880 564814756 /nfs/dbraw/zinc/81/47/56/564814756.db2.gz IBAFTNVCGKCECO-GFCCVEGCSA-N 1 1 388.331 2.719 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000558780675 564913948 /nfs/dbraw/zinc/91/39/48/564913948.db2.gz FLLKABCGIYXDPK-MRXNPFEDSA-N 1 1 381.860 2.932 20 30 GFEDMO N#Cc1c(Br)cccc1OCC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000560285396 564956497 /nfs/dbraw/zinc/95/64/97/564956497.db2.gz ZKLKNYHJYSGVOX-UHFFFAOYSA-N 1 1 389.253 2.549 20 30 GFEDMO Cc1[nH+]ccn1CCCCNC(=O)Cc1ccc(Br)cc1C#N ZINC000593484986 565336810 /nfs/dbraw/zinc/33/68/10/565336810.db2.gz TXQRKZBKSLTWPP-UHFFFAOYSA-N 1 1 375.270 2.965 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000594778948 565420717 /nfs/dbraw/zinc/42/07/17/565420717.db2.gz CDGDFFSRQGGCCR-GOOCMWNKSA-N 1 1 375.519 2.985 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000597860221 565578031 /nfs/dbraw/zinc/57/80/31/565578031.db2.gz MBXDVHQCFJNLHV-CYBMUJFWSA-N 1 1 380.286 2.689 20 30 GFEDMO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1nc(-c2cccc(Br)c2)no1 ZINC000598724089 565637518 /nfs/dbraw/zinc/63/75/18/565637518.db2.gz MCANTWQXYVONMS-ZDUSSCGKSA-N 1 1 379.258 2.889 20 30 GFEDMO Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1cc(Br)c(C#N)cc1F)C2 ZINC000601184065 565770760 /nfs/dbraw/zinc/77/07/60/565770760.db2.gz JXMMGQMNYGBEGE-LBPRGKRZSA-N 1 1 393.260 2.927 20 30 GFEDMO N#Cc1ccnc(N2CC[NH+](CCOc3cccc(Br)c3)CC2)c1 ZINC000603490139 565909642 /nfs/dbraw/zinc/90/96/42/565909642.db2.gz USBVJFWPAPAECQ-UHFFFAOYSA-N 1 1 387.281 2.917 20 30 GFEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c(F)c1 ZINC000737710510 598766752 /nfs/dbraw/zinc/76/67/52/598766752.db2.gz ANLNQMUYYBDSHQ-UHFFFAOYSA-N 1 1 378.411 2.921 20 30 GFEDMO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000819743579 606838868 /nfs/dbraw/zinc/83/88/68/606838868.db2.gz MMCGWRJXXFELBP-SFHVURJKSA-N 1 1 397.527 2.542 20 30 GFEDMO N#Cc1cccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1F ZINC000826386858 608393569 /nfs/dbraw/zinc/39/35/69/608393569.db2.gz VMXIZPLJDWECHX-UHFFFAOYSA-N 1 1 378.411 2.921 20 30 GFEDMO Brc1cccc2c(C=NNCCC[NH+]3CCOCC3)ccnc12 ZINC000834977292 660838157 /nfs/dbraw/zinc/83/81/57/660838157.db2.gz SCNLZLMTPFSFIT-UHFFFAOYSA-N 1 1 377.286 2.643 20 30 GFEDMO CCOC(=O)C(C)(C)O[NH+]=Cc1ccc(Br)cc1N1CCOCC1 ZINC000835006067 660838348 /nfs/dbraw/zinc/83/83/48/660838348.db2.gz MPUGQMUMQWMXON-UHFFFAOYSA-N 1 1 399.285 2.978 20 30 GFEDMO C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000836316556 660899501 /nfs/dbraw/zinc/89/95/01/660899501.db2.gz RVZWJPTUYHHRDT-SJORKVTESA-N 1 1 376.298 2.907 20 30 GFEDMO C#C[C@H](NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(Br)cc1 ZINC000836359328 660901580 /nfs/dbraw/zinc/90/15/80/660901580.db2.gz WJFPZENWOTWDRY-ZLIFDBKOSA-N 1 1 376.298 2.905 20 30 GFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCOc1ccccc1Br ZINC000091701528 655009106 /nfs/dbraw/zinc/00/91/06/655009106.db2.gz ALUZGHXYWJUUGL-UHFFFAOYSA-N 1 1 378.274 2.569 20 30 GFEDMO C=C(Br)CNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC000171198889 655149777 /nfs/dbraw/zinc/14/97/77/655149777.db2.gz ZKVZCEQTVOCDHI-INIZCTEOSA-N 1 1 381.318 2.986 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000730106310 655571911 /nfs/dbraw/zinc/57/19/11/655571911.db2.gz XJSXEBARAQEGNM-KRWDZBQOSA-N 1 1 386.293 2.913 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000730106310 655571914 /nfs/dbraw/zinc/57/19/14/655571914.db2.gz XJSXEBARAQEGNM-KRWDZBQOSA-N 1 1 386.293 2.913 20 30 GFEDMO C=CCn1nnn(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)c1=S ZINC000742177345 655711119 /nfs/dbraw/zinc/71/11/19/655711119.db2.gz SJRKAORIJSMNMG-AWEZNQCLSA-N 1 1 378.933 2.985 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000773911695 656477052 /nfs/dbraw/zinc/47/70/52/656477052.db2.gz KDZOZGSEVBRWAB-XOKHGSTOSA-N 1 1 379.298 2.739 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000773911695 656477060 /nfs/dbraw/zinc/47/70/60/656477060.db2.gz KDZOZGSEVBRWAB-XOKHGSTOSA-N 1 1 379.298 2.739 20 30 GFEDMO N#Cc1ccc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c(Br)c1 ZINC000787997565 657631604 /nfs/dbraw/zinc/63/16/04/657631604.db2.gz UKSNFEBZBMNWDW-MRXNPFEDSA-N 1 1 375.270 2.989 20 30 GFEDMO C#CCNC(=O)CC[N@@H+](Cc1ccc(C)cc1Br)C[C@H]1CCCO1 ZINC000815106482 660112685 /nfs/dbraw/zinc/11/26/85/660112685.db2.gz ALZLBXNUPUIAII-QGZVFWFLSA-N 1 1 393.325 2.878 20 30 GFEDMO C#CCNC(=O)CC[N@H+](Cc1ccc(C)cc1Br)C[C@H]1CCCO1 ZINC000815106482 660112687 /nfs/dbraw/zinc/11/26/87/660112687.db2.gz ALZLBXNUPUIAII-QGZVFWFLSA-N 1 1 393.325 2.878 20 30 GFEDMO C#CC1CC[NH+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)CC1 ZINC000842632847 661346657 /nfs/dbraw/zinc/34/66/57/661346657.db2.gz LNPMSBNVAXIYOZ-SFHVURJKSA-N 1 1 390.281 2.519 20 30 GFEDMO C[C@@]1(CNS(=O)(=O)c2ccsc2C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000845927906 661507271 /nfs/dbraw/zinc/50/72/71/661507271.db2.gz YERAYQGHSRRDFQ-SFHVURJKSA-N 1 1 375.519 2.810 20 30 GFEDMO COc1cc(Br)cc(C(C)=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c1O ZINC000848406314 661646294 /nfs/dbraw/zinc/64/62/94/661646294.db2.gz BOKQYHFQBMFWBN-CHWSQXEVSA-N 1 1 381.274 2.747 20 30 GFEDMO Cn1ccnc(N=NC2CC[N@H+](C)[C@@H](c3ccc(Br)cc3)C2)c1=O ZINC000863098082 662311719 /nfs/dbraw/zinc/31/17/19/662311719.db2.gz YXHJKAPSJRPZGD-OAHLLOKOSA-N 1 1 390.285 2.778 20 30 GFEDMO Cn1ccnc(N=NC2CC[N@@H+](C)[C@@H](c3ccc(Br)cc3)C2)c1=O ZINC000863098082 662311722 /nfs/dbraw/zinc/31/17/22/662311722.db2.gz YXHJKAPSJRPZGD-OAHLLOKOSA-N 1 1 390.285 2.778 20 30 GFEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000885457265 663090985 /nfs/dbraw/zinc/09/09/85/663090985.db2.gz POOOIOVJBUWMET-CABCVRRESA-N 1 1 398.326 2.568 20 30 GFEDMO C=C(C[NH+](C)C)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1 ZINC000911255017 664241303 /nfs/dbraw/zinc/24/13/03/664241303.db2.gz ZLOJXUQQVHXZDR-QGZVFWFLSA-N 1 1 389.297 2.764 20 30 GFEDMO Cc1ccc([C@@H](CNS(=O)(=O)Cc2csc(C#N)c2)[NH+]2CCCC2)o1 ZINC000914038555 664372937 /nfs/dbraw/zinc/37/29/37/664372937.db2.gz GXAOIDPSABTVHM-MRXNPFEDSA-N 1 1 379.507 2.778 20 30 GFEDMO C=CCn1nnn(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)c1=S ZINC000919940461 664520170 /nfs/dbraw/zinc/52/01/70/664520170.db2.gz XGMDUMAHOBPXFQ-CQSZACIVSA-N 1 1 378.933 2.985 20 30 GFEDMO CN(C(=O)Nc1ccc(C#N)cc1I)[C@H]1CCC[N@@H+](C)C1 ZINC000932547385 664825254 /nfs/dbraw/zinc/82/52/54/664825254.db2.gz KCVCWUGOHARZLH-LBPRGKRZSA-N 1 1 398.248 2.721 20 30 GFEDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(C#N)cc1I ZINC000932550513 664826302 /nfs/dbraw/zinc/82/63/02/664826302.db2.gz DIXPZQZRZNODNE-QWRGUYRKSA-N 1 1 398.248 2.719 20 30 GFEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3ccc(C#N)cc31)C2 ZINC001164815266 720086195 /nfs/dbraw/zinc/08/61/95/720086195.db2.gz XTOVUFXIXQDJGF-XMSQKQJNSA-N 1 1 377.492 2.686 20 30 GFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C#N)nc1C)CC2 ZINC001164712227 720135514 /nfs/dbraw/zinc/13/55/14/720135514.db2.gz LEXNDYIOPFXFIG-HXUWFJFHSA-N 1 1 392.507 2.559 20 30 GFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C)nc1C#N)CC2 ZINC001164712583 720137018 /nfs/dbraw/zinc/13/70/18/720137018.db2.gz NSCFTNJKEKHMNB-IBGZPJMESA-N 1 1 392.507 2.559 20 30 GFEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)ncc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839990 720521410 /nfs/dbraw/zinc/52/14/10/720521410.db2.gz VMBAKPDVNKXQOF-BHYGNILZSA-N 1 1 385.903 2.576 20 30 GFEDMO N#Cc1cnc(Cl)cc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742184 720813447 /nfs/dbraw/zinc/81/34/47/720813447.db2.gz CLFDLTJWOUORFB-KBAYOESNSA-N 1 1 397.914 2.578 20 30 GFEDMO N#Cc1cc(F)c(Cl)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866076 721044724 /nfs/dbraw/zinc/04/47/24/721044724.db2.gz CIKPXMWRIDRWOS-JKSUJKDBSA-N 1 1 387.846 2.620 20 30 GFEDMO N#Cc1cc2c(nc1N1CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C1)CCCC2 ZINC001164871505 721139465 /nfs/dbraw/zinc/13/94/65/721139465.db2.gz FCAGVHPOTIKKKD-SFTDATJTSA-N 1 1 389.503 2.707 20 30 GFEDMO N#Cc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc2ccccc12 ZINC001164881116 721140472 /nfs/dbraw/zinc/14/04/72/721140472.db2.gz ZCCROWIFHYVXLP-WOJBJXKFSA-N 1 1 385.471 2.981 20 30 GFEDMO N#Cc1cc(C#N)c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164902546 721532294 /nfs/dbraw/zinc/53/22/94/721532294.db2.gz AIADZMSGYFBNQL-AEFFLSMTSA-N 1 1 397.841 2.959 20 30 GFEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C#N)C[C@H]21 ZINC001165018934 721809334 /nfs/dbraw/zinc/80/93/34/721809334.db2.gz BBKYWKNIEOFERP-CDHQVMDDSA-N 1 1 392.463 2.993 20 30 GFEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C)nc(C#N)n4)CC3)C2)cc1 ZINC001164938916 721927481 /nfs/dbraw/zinc/92/74/81/721927481.db2.gz BHUYCVCMVCQDCV-UHFFFAOYSA-N 1 1 377.492 2.837 20 30 GFEDMO N#Cc1cc(Cl)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977328 722111160 /nfs/dbraw/zinc/11/11/60/722111160.db2.gz MOAPSMWKGPGQSB-LPHOPBHVSA-N 1 1 383.883 2.729 20 30 GFEDMO N#Cc1ccccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000156928540 551530967 /nfs/dbraw/zinc/53/09/67/551530967.db2.gz CRRHTUVIFDUQMJ-OAHLLOKOSA-N 1 1 375.519 2.810 20 30 GFEDMO N#CCC[C@H](C#N)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000157733305 551542424 /nfs/dbraw/zinc/54/24/24/551542424.db2.gz HBAIJTHSEIFJRM-CYBMUJFWSA-N 1 1 390.285 2.938 20 30 GFEDMO CC[C@H](CSC)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245949561 553099770 /nfs/dbraw/zinc/09/97/70/553099770.db2.gz WGWDQMKRAXXGLL-HZPDHXFCSA-N 1 1 380.583 2.530 20 30 GFEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246217731 553104253 /nfs/dbraw/zinc/10/42/53/553104253.db2.gz AXUQSQNZZAMLGN-SUMWQHHRSA-N 1 1 379.913 2.849 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@](C)(C(N)=O)C2)cc1OC ZINC000280259836 563329360 /nfs/dbraw/zinc/32/93/60/563329360.db2.gz LUAYNUOTTSBYEA-KRWDZBQOSA-N 1 1 383.286 2.720 20 30 GFEDMO C[C@H]1CN(Cc2ccc(C#N)cc2Br)CC[N@@H+]1C1CCN(C)CC1 ZINC000374627659 563378211 /nfs/dbraw/zinc/37/82/11/563378211.db2.gz XHMQTAAOYQPTFI-HNNXBMFYSA-N 1 1 391.357 2.921 20 30 GFEDMO C[C@H]1CN(Cc2ccc(C#N)cc2Br)CC[N@H+]1C1CCN(C)CC1 ZINC000374627659 563378212 /nfs/dbraw/zinc/37/82/12/563378212.db2.gz XHMQTAAOYQPTFI-HNNXBMFYSA-N 1 1 391.357 2.921 20 30 GFEDMO C[N@H+]1CCO[C@@H]2CCN(c3c(C#N)cnc4c(Br)cccc43)C[C@H]21 ZINC000284966678 563497384 /nfs/dbraw/zinc/49/73/84/563497384.db2.gz KKVUVAULIIXISC-HZPDHXFCSA-N 1 1 387.281 2.778 20 30 GFEDMO CC[C@H]1CN(C(=O)Nc2ccc(Br)c(F)c2)CC[N@H+]1C[C@@H](C)O ZINC000330660721 563515962 /nfs/dbraw/zinc/51/59/62/563515962.db2.gz UXJGLNDUGSRYBA-YPMHNXCESA-N 1 1 388.281 2.911 20 30 GFEDMO N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000333199009 563623978 /nfs/dbraw/zinc/62/39/78/563623978.db2.gz YEEUUHKAYIPAJN-HNNXBMFYSA-N 1 1 398.326 2.616 20 30 GFEDMO N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000333199009 563623980 /nfs/dbraw/zinc/62/39/80/563623980.db2.gz YEEUUHKAYIPAJN-HNNXBMFYSA-N 1 1 398.326 2.616 20 30 GFEDMO C[N@H+](CCn1cc(Br)cn1)CC(=O)N(CCC#N)c1ccccc1 ZINC000288706131 563654104 /nfs/dbraw/zinc/65/41/04/563654104.db2.gz DZISJMIAGZJMAB-UHFFFAOYSA-N 1 1 390.285 2.524 20 30 GFEDMO C[N@@H+](CCn1cc(Br)cn1)CC(=O)N(CCC#N)c1ccccc1 ZINC000288706131 563654106 /nfs/dbraw/zinc/65/41/06/563654106.db2.gz DZISJMIAGZJMAB-UHFFFAOYSA-N 1 1 390.285 2.524 20 30 GFEDMO Cc1ccc(-c2nn(C[C@H](O)C[N@H+](C)CCC#N)cc2Br)cc1 ZINC000414136823 563720557 /nfs/dbraw/zinc/72/05/57/563720557.db2.gz FYFLTHINNMRZDD-OAHLLOKOSA-N 1 1 377.286 2.827 20 30 GFEDMO Cc1ccc(-c2nn(C[C@H](O)C[N@@H+](C)CCC#N)cc2Br)cc1 ZINC000414136823 563720561 /nfs/dbraw/zinc/72/05/61/563720561.db2.gz FYFLTHINNMRZDD-OAHLLOKOSA-N 1 1 377.286 2.827 20 30 GFEDMO C[N@@H+](CCCCNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000416501183 563840200 /nfs/dbraw/zinc/84/02/00/563840200.db2.gz JYCDPZVFCDDCIW-UHFFFAOYSA-N 1 1 375.416 2.730 20 30 GFEDMO CC(C)C[C@H](CNC(=O)c1cccc(C#N)c1Br)[NH+]1CCOCC1 ZINC000448633291 563899375 /nfs/dbraw/zinc/89/93/75/563899375.db2.gz NRNQNHMHIVCQNV-OAHLLOKOSA-N 1 1 394.313 2.797 20 30 GFEDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3cccc(C#N)c3Br)CC2)CCO1 ZINC000448943623 563903317 /nfs/dbraw/zinc/90/33/17/563903317.db2.gz YGRDINOGCPFZIL-ZDUSSCGKSA-N 1 1 392.297 2.646 20 30 GFEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449628998 564193635 /nfs/dbraw/zinc/19/36/35/564193635.db2.gz JVBMTNPDQQDZLY-CYBMUJFWSA-N 1 1 380.286 2.690 20 30 GFEDMO C[C@H]1C[C@@H](N(C)C(=O)COc2cccc(Br)c2C#N)CC[N@H+]1C ZINC000449929130 564209527 /nfs/dbraw/zinc/20/95/27/564209527.db2.gz ROZNSTYHJRRMGJ-STQMWFEESA-N 1 1 380.286 2.641 20 30 GFEDMO C[C@@H]1C[C@H](N(C)C(=O)COc2cccc(Br)c2C#N)CC[N@H+]1C ZINC000449929123 564209656 /nfs/dbraw/zinc/20/96/56/564209656.db2.gz ROZNSTYHJRRMGJ-CHWSQXEVSA-N 1 1 380.286 2.641 20 30 GFEDMO Cc1cc[nH+]c(N2CCN(C(=O)c3cccc(C#N)c3Br)CC2)c1 ZINC000450142913 564219152 /nfs/dbraw/zinc/21/91/52/564219152.db2.gz CQBOEWDDCMLKFH-UHFFFAOYSA-N 1 1 385.265 2.987 20 30 GFEDMO CCCNC(=O)C[NH+]1CCC(Nc2cc(Br)c(C#N)cc2F)CC1 ZINC000564239569 564225437 /nfs/dbraw/zinc/22/54/37/564225437.db2.gz IGNPYGGDJNWCCQ-UHFFFAOYSA-N 1 1 397.292 2.862 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000566641001 564336484 /nfs/dbraw/zinc/33/64/84/564336484.db2.gz IPBNTSDYVHNCES-GOSISDBHSA-N 1 1 377.897 2.934 20 30 GFEDMO CC(C)[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000452104643 564393013 /nfs/dbraw/zinc/39/30/13/564393013.db2.gz MKCSRBHQRBLSQW-ZDUSSCGKSA-N 1 1 375.416 2.680 20 30 GFEDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000480708611 564483476 /nfs/dbraw/zinc/48/34/76/564483476.db2.gz WZLFJXSYBMDCHH-BBRMVZONSA-N 1 1 394.313 2.684 20 30 GFEDMO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000518458145 564554432 /nfs/dbraw/zinc/55/44/32/564554432.db2.gz SPVYJKWQBNCPCY-GFCCVEGCSA-N 1 1 375.416 2.730 20 30 GFEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487965075 564701114 /nfs/dbraw/zinc/70/11/14/564701114.db2.gz DFNXTAVIQATLRL-GFCCVEGCSA-N 1 1 395.301 2.630 20 30 GFEDMO N#Cc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Br ZINC000588313420 565133534 /nfs/dbraw/zinc/13/35/34/565133534.db2.gz FLJBHSVXZRDHSW-HNNXBMFYSA-N 1 1 393.285 2.649 20 30 GFEDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593413752 565330392 /nfs/dbraw/zinc/33/03/92/565330392.db2.gz AGFXDFULCUKQAP-GFCCVEGCSA-N 1 1 375.270 2.821 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000594748756 565414510 /nfs/dbraw/zinc/41/45/10/565414510.db2.gz OCFGUYPDJHLULQ-JKSUJKDBSA-N 1 1 375.519 2.987 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000594801880 565422572 /nfs/dbraw/zinc/42/25/72/565422572.db2.gz UOYMOOADPICPCM-CYBMUJFWSA-N 1 1 375.416 2.728 20 30 GFEDMO C=CCNC(=O)C[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000623487150 565514672 /nfs/dbraw/zinc/51/46/72/565514672.db2.gz VEUVEBSUFIUKLG-UHFFFAOYSA-N 1 1 376.092 2.912 20 30 GFEDMO COc1ccc(Br)c([C@@H](CO)[N@H+](C)C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598620251 565630508 /nfs/dbraw/zinc/63/05/08/565630508.db2.gz KXQDEJRRWWIGCH-BLLLJJGKSA-N 1 1 385.302 2.724 20 30 GFEDMO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598620251 565630509 /nfs/dbraw/zinc/63/05/09/565630509.db2.gz KXQDEJRRWWIGCH-BLLLJJGKSA-N 1 1 385.302 2.724 20 30 GFEDMO N#CC1(C[C@@H](O)C[N@@H+]2CCc3ccc(Br)cc3C2)CCOCC1 ZINC000599402631 565676229 /nfs/dbraw/zinc/67/62/29/565676229.db2.gz AIDLTNSFIQBLGH-QGZVFWFLSA-N 1 1 379.298 2.879 20 30 GFEDMO N#CC1(C[C@@H](O)C[N@H+]2CCc3ccc(Br)cc3C2)CCOCC1 ZINC000599402631 565676232 /nfs/dbraw/zinc/67/62/32/565676232.db2.gz AIDLTNSFIQBLGH-QGZVFWFLSA-N 1 1 379.298 2.879 20 30 GFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)c(Br)c1 ZINC000602859589 565871711 /nfs/dbraw/zinc/87/17/11/565871711.db2.gz DKJRQKKRPNMWIL-GFCCVEGCSA-N 1 1 375.226 2.511 20 30 GFEDMO N#Cc1ccc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c(Br)c1 ZINC000603424497 565904574 /nfs/dbraw/zinc/90/45/74/565904574.db2.gz YSNHRNULJYQLBG-INIZCTEOSA-N 1 1 393.329 2.529 20 30 GFEDMO N#Cc1ccc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(Br)c1 ZINC000603424497 565904580 /nfs/dbraw/zinc/90/45/80/565904580.db2.gz YSNHRNULJYQLBG-INIZCTEOSA-N 1 1 393.329 2.529 20 30 GFEDMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000737032804 598985008 /nfs/dbraw/zinc/98/50/08/598985008.db2.gz NSMNWHOZKKEUJZ-UHFFFAOYSA-N 1 1 390.447 2.790 20 30 GFEDMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCc3ccc(OCC#N)cc3)c2c1 ZINC000822196563 599521460 /nfs/dbraw/zinc/52/14/60/599521460.db2.gz NRHXHSLBMJOKII-UHFFFAOYSA-N 1 1 385.431 2.968 20 30 GFEDMO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824046845 608465315 /nfs/dbraw/zinc/46/53/15/608465315.db2.gz WAUVDFASVKQUEG-HNNXBMFYSA-N 1 1 399.458 2.855 20 30 GFEDMO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824046845 608465316 /nfs/dbraw/zinc/46/53/16/608465316.db2.gz WAUVDFASVKQUEG-HNNXBMFYSA-N 1 1 399.458 2.855 20 30 GFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824984983 608540707 /nfs/dbraw/zinc/54/07/07/608540707.db2.gz PZNZIURTZAYPOQ-GFCCVEGCSA-N 1 1 382.859 2.835 20 30 GFEDMO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[N@H+]2CCCOCC2)s1 ZINC000819506332 660260626 /nfs/dbraw/zinc/26/06/26/660260626.db2.gz VRRKCRVJUGSSGM-UHFFFAOYSA-N 1 1 389.974 2.677 20 30 GFEDMO C#C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCOC)c1ccc(Br)cc1 ZINC000836316507 660899326 /nfs/dbraw/zinc/89/93/26/660899326.db2.gz QZDQWHDXSVFHDO-IRXDYDNUSA-N 1 1 394.313 2.533 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000836437163 660905621 /nfs/dbraw/zinc/90/56/21/660905621.db2.gz RJBXDKWIADINSH-XJKSGUPXSA-N 1 1 382.277 2.698 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000836491122 660910498 /nfs/dbraw/zinc/91/04/98/660910498.db2.gz IAAWCSNREDQVOS-MRXNPFEDSA-N 1 1 378.314 2.903 20 30 GFEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000007018279 654460455 /nfs/dbraw/zinc/46/04/55/654460455.db2.gz WVTGAFBWDFRXGG-QGZVFWFLSA-N 1 1 382.302 2.814 20 30 GFEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000007018279 654460458 /nfs/dbraw/zinc/46/04/58/654460458.db2.gz WVTGAFBWDFRXGG-QGZVFWFLSA-N 1 1 382.302 2.814 20 30 GFEDMO Cc1oc(NC(=O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)c(C#N)c1C ZINC000273157275 655132935 /nfs/dbraw/zinc/13/29/35/655132935.db2.gz YIDSLVCEMQSSEJ-HNNXBMFYSA-N 1 1 392.253 2.792 20 30 GFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000173992655 655188649 /nfs/dbraw/zinc/18/86/49/655188649.db2.gz FCPUCUXRPWGOJN-CYBMUJFWSA-N 1 1 382.302 2.985 20 30 GFEDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000576031505 655442072 /nfs/dbraw/zinc/44/20/72/655442072.db2.gz AFCILAIJSKMPNO-GFCCVEGCSA-N 1 1 388.331 2.719 20 30 GFEDMO Cc1cc([N-][NH+]=Cc2cnc(N3CC[NH+](C)CC3)nc2)ccc1Br ZINC000755661052 655886942 /nfs/dbraw/zinc/88/69/42/655886942.db2.gz BUUGTLZVGWCGCU-UHFFFAOYSA-N 1 1 389.301 2.745 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000756541368 655901626 /nfs/dbraw/zinc/90/16/26/655901626.db2.gz ASPRBGQORWSAMB-CYBMUJFWSA-N 1 1 382.254 2.721 20 30 GFEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1COCCC1=[NH+]n1cc(Br)cn1 ZINC000766024153 656157986 /nfs/dbraw/zinc/15/79/86/656157986.db2.gz ANTMLTLREBTYGA-PWSUYJOCSA-N 1 1 387.278 2.799 20 30 GFEDMO C#CCN(C[C@@H](O)C[N@H+](C)CC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000846804804 661566462 /nfs/dbraw/zinc/56/64/62/661566462.db2.gz PMJHFVNSRUAMBN-DOTOQJQBSA-N 1 1 381.314 2.521 20 30 GFEDMO C#CCC[N@@H+](CCOC)CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000853620922 661895370 /nfs/dbraw/zinc/89/53/70/661895370.db2.gz JQTBUIPLIKSULD-QGZVFWFLSA-N 1 1 379.298 2.694 20 30 GFEDMO C#CCC[N@H+](CCOC)CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000853620922 661895371 /nfs/dbraw/zinc/89/53/71/661895371.db2.gz JQTBUIPLIKSULD-QGZVFWFLSA-N 1 1 379.298 2.694 20 30 GFEDMO Cn1cc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c(Br)n1 ZINC000858185737 662103835 /nfs/dbraw/zinc/10/38/35/662103835.db2.gz HXUWGSSYTVIRFV-UHFFFAOYSA-N 1 1 388.313 2.808 20 30 GFEDMO C#C[C@H](NC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)c1ccc(Br)cc1 ZINC000868658141 662613890 /nfs/dbraw/zinc/61/38/90/662613890.db2.gz PJGQOJVCICSPHH-HYVNUMGLSA-N 1 1 376.298 2.859 20 30 GFEDMO N#Cc1cccc(C[NH+]2CCC(NS(=O)(=O)CC=C(Cl)Cl)CC2)c1 ZINC000882328666 663024626 /nfs/dbraw/zinc/02/46/26/663024626.db2.gz SVNDGJHERZVIQK-UHFFFAOYSA-N 1 1 388.320 2.761 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884958663 663079766 /nfs/dbraw/zinc/07/97/66/663079766.db2.gz AQVQNJFMVLYHBN-GJZGRUSLSA-N 1 1 375.519 2.987 20 30 GFEDMO C[N@@H+](CC(=O)Nc1ccccc1Br)C[C@@H](O)CC1(C#N)CCC1 ZINC000885947003 663101873 /nfs/dbraw/zinc/10/18/73/663101873.db2.gz XFYXHAYNHLLYSV-ZDUSSCGKSA-N 1 1 380.286 2.764 20 30 GFEDMO C[N@H+](CC(=O)Nc1ccccc1Br)C[C@@H](O)CC1(C#N)CCC1 ZINC000885947003 663101874 /nfs/dbraw/zinc/10/18/74/663101874.db2.gz XFYXHAYNHLLYSV-ZDUSSCGKSA-N 1 1 380.286 2.764 20 30 GFEDMO O=C1NCC[C@@H]1CC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944993 664844050 /nfs/dbraw/zinc/84/40/50/664844050.db2.gz PBUCGEDXYXDWBX-HLTSFMKQSA-N 1 1 380.279 2.615 20 30 GFEDMO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000934465615 664907220 /nfs/dbraw/zinc/90/72/20/664907220.db2.gz FAXCBUWJQTYKSC-TZMCWYRMSA-N 1 1 385.917 2.568 20 30 GFEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000934465615 664907226 /nfs/dbraw/zinc/90/72/26/664907226.db2.gz FAXCBUWJQTYKSC-TZMCWYRMSA-N 1 1 385.917 2.568 20 30 GFEDMO C[C@@H]1[C@H](C(=O)N2C[C@@H](CNc3snc(Cl)c3C#N)[C@H](C)C2)CC[N@H+]1C ZINC001054659043 677674657 /nfs/dbraw/zinc/67/46/57/677674657.db2.gz GVRYHHDQCWHONO-FDYHWXHSSA-N 1 1 381.933 2.515 20 30 GFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C#N)CC2 ZINC001164711580 720097069 /nfs/dbraw/zinc/09/70/69/720097069.db2.gz RCMWIXTXCBIHTK-HXUWFJFHSA-N 1 1 377.492 2.856 20 30 GFEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cnc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835320 720520128 /nfs/dbraw/zinc/52/01/28/720520128.db2.gz JYWBGCYLDNFMQM-HLLBOEOZSA-N 1 1 385.903 2.576 20 30 GFEDMO N#Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164751195 720807922 /nfs/dbraw/zinc/80/79/22/720807922.db2.gz XJLCOLQMELDZJO-OKZBNKHCSA-N 1 1 397.914 2.578 20 30 GFEDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)c(Cl)c(C)c3C#N)CC[C@H]2C1 ZINC001164857763 720842418 /nfs/dbraw/zinc/84/24/18/720842418.db2.gz YPGWMMNNWJWYAT-DZGCQCFKSA-N 1 1 399.322 2.742 20 30 GFEDMO N#Cc1cc(C#N)c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164902550 721532070 /nfs/dbraw/zinc/53/20/70/721532070.db2.gz AIADZMSGYFBNQL-FUHWJXTLSA-N 1 1 397.841 2.959 20 30 GFEDMO N#Cc1c[nH]c2nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)ccc12 ZINC001164905861 721539106 /nfs/dbraw/zinc/53/91/06/721539106.db2.gz JJNRLZGCAKANKB-AEFFLSMTSA-N 1 1 377.423 2.916 20 30 GFEDMO COc1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(F)cc1C#N ZINC001164909695 721551056 /nfs/dbraw/zinc/55/10/56/721551056.db2.gz UPLBPRSMANDYJC-NVXWUHKLSA-N 1 1 386.402 2.582 20 30 GFEDMO Cc1ccc([C@H](C#N)c2ccc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nn2)cc1 ZINC001164966189 722067905 /nfs/dbraw/zinc/06/79/05/722067905.db2.gz XNAYOQMCWHCXIN-HBMCJLEFSA-N 1 1 389.503 2.740 20 30 GFEDMO N#Cc1cnc(Cl)cc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164986036 722103011 /nfs/dbraw/zinc/10/30/11/722103011.db2.gz XUMQNUXRACBAAM-LPHOPBHVSA-N 1 1 383.883 2.729 20 30 GFEDMO CCC[N@H+]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000128271436 551348317 /nfs/dbraw/zinc/34/83/17/551348317.db2.gz RZSMGCJVACKFFA-UHFFFAOYSA-N 1 1 375.416 2.683 20 30 GFEDMO C[N@@H+](CCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C1CCCC1 ZINC000177656823 552156653 /nfs/dbraw/zinc/15/66/53/552156653.db2.gz XIBRHQBZAYRWDC-UHFFFAOYSA-N 1 1 375.416 2.730 20 30 GFEDMO C[S@](=O)C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000183090484 552299815 /nfs/dbraw/zinc/29/98/15/552299815.db2.gz RBJWARQQVRNZQO-GKVSMKOHSA-N 1 1 375.881 2.860 20 30 GFEDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000246371829 553107057 /nfs/dbraw/zinc/10/70/57/553107057.db2.gz HMWCPARRUOOXOI-IAQYHMDHSA-N 1 1 375.416 2.538 20 30 GFEDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000369538093 563216112 /nfs/dbraw/zinc/21/61/12/563216112.db2.gz ALOSPXCMHLURJV-WMZOPIPTSA-N 1 1 375.519 2.732 20 30 GFEDMO N#Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000295188586 563234033 /nfs/dbraw/zinc/23/40/33/563234033.db2.gz CVQCMRRFGPVZKH-CQSZACIVSA-N 1 1 392.297 2.505 20 30 GFEDMO C[C@H](C[NH+]1CCN(C)CC1)Nc1c(C#N)cnc2c(Br)cccc21 ZINC000281635571 563381754 /nfs/dbraw/zinc/38/17/54/563381754.db2.gz LVDHPFIUNVBVQU-CYBMUJFWSA-N 1 1 388.313 2.917 20 30 GFEDMO C=CCCn1cc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)nn1 ZINC000424801899 563392658 /nfs/dbraw/zinc/39/26/58/563392658.db2.gz YICVMEVOUSWSBV-UHFFFAOYSA-N 1 1 378.274 2.931 20 30 GFEDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000282789930 563424886 /nfs/dbraw/zinc/42/48/86/563424886.db2.gz XRBQGGUSTADKHS-YPMHNXCESA-N 1 1 375.416 2.680 20 30 GFEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000329220472 563475834 /nfs/dbraw/zinc/47/58/34/563475834.db2.gz TVBCFTYEWRXTFD-LSDHHAIUSA-N 1 1 385.555 2.732 20 30 GFEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000428994309 563506379 /nfs/dbraw/zinc/50/63/79/563506379.db2.gz FKKOFDUAAQTANO-MLGOLLRUSA-N 1 1 385.277 2.800 20 30 GFEDMO Cc1cc(C)c(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1Br ZINC000330567951 563510784 /nfs/dbraw/zinc/51/07/84/563510784.db2.gz MZOXWDPOBXMPEE-ZIAGYGMSSA-N 1 1 384.318 2.998 20 30 GFEDMO Cc1cc(C)c(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1Br ZINC000330567950 563511190 /nfs/dbraw/zinc/51/11/90/563511190.db2.gz MZOXWDPOBXMPEE-UONOGXRCSA-N 1 1 384.318 2.998 20 30 GFEDMO COCC[N@@H+]1CCN(C(=O)Nc2cc(Br)cc(OC)c2)C[C@@H]1C ZINC000330564587 563511278 /nfs/dbraw/zinc/51/12/78/563511278.db2.gz LIUBLYZEPLTSMH-LBPRGKRZSA-N 1 1 386.290 2.656 20 30 GFEDMO COCC[N@H+]1CCN(C(=O)Nc2cc(Br)cc(OC)c2)C[C@@H]1C ZINC000330564587 563511280 /nfs/dbraw/zinc/51/12/80/563511280.db2.gz LIUBLYZEPLTSMH-LBPRGKRZSA-N 1 1 386.290 2.656 20 30 GFEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)[C@H](C)C1 ZINC000331164982 563538640 /nfs/dbraw/zinc/53/86/40/563538640.db2.gz HMNOUULVKSIRTR-GHMZBOCLSA-N 1 1 377.819 2.874 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000286827999 563576445 /nfs/dbraw/zinc/57/64/45/563576445.db2.gz JJMFCBDCBLRXGE-UHFFFAOYSA-N 1 1 382.379 2.653 20 30 GFEDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000290025285 563695132 /nfs/dbraw/zinc/69/51/32/563695132.db2.gz YOLOKTUJTYISEN-CYBMUJFWSA-N 1 1 375.416 2.682 20 30 GFEDMO C[N@H+]1CCC[C@H](N2CCN(Cc3cc(C#N)ccc3Br)CC2)C1 ZINC000365189468 563776588 /nfs/dbraw/zinc/77/65/88/563776588.db2.gz CAKCRWJXYVTNNF-KRWDZBQOSA-N 1 1 377.330 2.533 20 30 GFEDMO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000416385926 563821211 /nfs/dbraw/zinc/82/12/11/563821211.db2.gz KBHXBPMRINNXGA-AWEZNQCLSA-N 1 1 398.326 2.616 20 30 GFEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449856040 564205407 /nfs/dbraw/zinc/20/54/07/564205407.db2.gz NMGLKUBJKYVTBH-CQSZACIVSA-N 1 1 380.286 2.690 20 30 GFEDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000450098363 564216569 /nfs/dbraw/zinc/21/65/69/564216569.db2.gz VDTGHHFXXUVWIS-DOMZBBRYSA-N 1 1 380.286 2.544 20 30 GFEDMO CCC[N@@H+](C)[C@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)c1ccc(Cl)cc1 ZINC000509623044 564306151 /nfs/dbraw/zinc/30/61/51/564306151.db2.gz DGGFWEPQFQRRCG-WMLDXEAASA-N 1 1 386.949 2.649 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451899377 564363189 /nfs/dbraw/zinc/36/31/89/564363189.db2.gz YUFUOXHSWSYYDO-GZBFAFLISA-N 1 1 376.444 2.896 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451899377 564363192 /nfs/dbraw/zinc/36/31/92/564363192.db2.gz YUFUOXHSWSYYDO-GZBFAFLISA-N 1 1 376.444 2.896 20 30 GFEDMO C[N@H+]1CCC[C@]2(CCN(C(=O)COc3ccc(C#N)c(Br)c3)C2)C1 ZINC000452152273 564397031 /nfs/dbraw/zinc/39/70/31/564397031.db2.gz OYZOPSXAVIUJAY-SFHVURJKSA-N 1 1 392.297 2.644 20 30 GFEDMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000571451173 564551769 /nfs/dbraw/zinc/55/17/69/564551769.db2.gz BJLBXFJCYUGCOC-LBPRGKRZSA-N 1 1 377.432 2.976 20 30 GFEDMO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ncc(Br)cn1 ZINC000571620542 564558848 /nfs/dbraw/zinc/55/88/48/564558848.db2.gz NCBAQIKXHGKNTI-SECBINFHSA-N 1 1 380.271 2.852 20 30 GFEDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000457093931 564646283 /nfs/dbraw/zinc/64/62/83/564646283.db2.gz OLATYRXUCUQMPR-CQSZACIVSA-N 1 1 380.286 2.641 20 30 GFEDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000558479020 564903571 /nfs/dbraw/zinc/90/35/71/564903571.db2.gz GKLSZZBHHGTFAE-GFCCVEGCSA-N 1 1 388.331 2.719 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccc(F)cc1 ZINC000561547639 565000954 /nfs/dbraw/zinc/00/09/54/565000954.db2.gz YWZUMSRMPDGXIX-KRWDZBQOSA-N 1 1 381.860 2.932 20 30 GFEDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccsc1C#N ZINC000593556675 565340571 /nfs/dbraw/zinc/34/05/71/565340571.db2.gz LQBJRLZMHXMOTO-OAHLLOKOSA-N 1 1 375.519 2.905 20 30 GFEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccsc1C#N ZINC000593556675 565340573 /nfs/dbraw/zinc/34/05/73/565340573.db2.gz LQBJRLZMHXMOTO-OAHLLOKOSA-N 1 1 375.519 2.905 20 30 GFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccsc1C#N ZINC000593562026 565341754 /nfs/dbraw/zinc/34/17/54/565341754.db2.gz QZPDXCQNJCYBKC-GDBMZVCRSA-N 1 1 375.519 2.809 20 30 GFEDMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595610358 565484834 /nfs/dbraw/zinc/48/48/34/565484834.db2.gz XAIKBRQXSNLTHG-HNNXBMFYSA-N 1 1 394.313 2.912 20 30 GFEDMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610358 565484836 /nfs/dbraw/zinc/48/48/36/565484836.db2.gz XAIKBRQXSNLTHG-HNNXBMFYSA-N 1 1 394.313 2.912 20 30 GFEDMO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000598590145 565628504 /nfs/dbraw/zinc/62/85/04/565628504.db2.gz RFBDYVIRARSYJR-CYBMUJFWSA-N 1 1 386.359 2.929 20 30 GFEDMO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000599475895 565683058 /nfs/dbraw/zinc/68/30/58/565683058.db2.gz YRMBRXYOLXPUOW-XJKSGUPXSA-N 1 1 381.259 2.928 20 30 GFEDMO C[C@@H]1CN(Cc2ccc(C#N)cc2)[C@@H](C)C[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826232539 607553508 /nfs/dbraw/zinc/55/35/08/607553508.db2.gz UYJCGFWBRAUEQA-DLBZAZTESA-N 1 1 387.491 2.833 20 30 GFEDMO CC(C)(C#N)CCC[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000819892110 606110342 /nfs/dbraw/zinc/11/03/42/606110342.db2.gz VCYWTYCTFWJGAL-UHFFFAOYSA-N 1 1 396.455 2.567 20 30 GFEDMO C#CCOc1ccc(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000823855971 608583966 /nfs/dbraw/zinc/58/39/66/608583966.db2.gz FRMMHYICKPRWDH-UHFFFAOYSA-N 1 1 388.475 2.591 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000818609390 660229991 /nfs/dbraw/zinc/22/99/91/660229991.db2.gz SPTULXPDJWKAAK-UHFFFAOYSA-N 1 1 375.270 2.524 20 30 GFEDMO N#CCCC[C@@H]([NH3+])c1nc(Cc2cc3c(cc2Br)OCO3)no1 ZINC000822947018 660358759 /nfs/dbraw/zinc/35/87/59/660358759.db2.gz MQTNORSBPHIKHZ-LLVKDONJSA-N 1 1 379.214 2.845 20 30 GFEDMO N#Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ncc1Br ZINC000603332649 651481694 /nfs/dbraw/zinc/48/16/94/651481694.db2.gz NQWYJBOHNSVULZ-INIZCTEOSA-N 1 1 387.281 2.894 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000836195547 660894936 /nfs/dbraw/zinc/89/49/36/660894936.db2.gz YMIGSNDMEHLPKF-ZDUSSCGKSA-N 1 1 382.302 2.773 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000836487799 660910173 /nfs/dbraw/zinc/91/01/73/660910173.db2.gz KJGLBVHCNZVTEA-OAHLLOKOSA-N 1 1 380.286 2.527 20 30 GFEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000123199740 654752975 /nfs/dbraw/zinc/75/29/75/654752975.db2.gz APRFHRCETHMHKQ-DZGCQCFKSA-N 1 1 382.302 2.822 20 30 GFEDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000266199622 654862481 /nfs/dbraw/zinc/86/24/81/654862481.db2.gz OGHALCMAESADFA-RISCZKNCSA-N 1 1 375.416 2.538 20 30 GFEDMO Cc1[nH+]ccn1CCCOC(=O)COc1cccc(Br)c1C#N ZINC000838248979 661034285 /nfs/dbraw/zinc/03/42/85/661034285.db2.gz WCTAJYHVGWVYLF-UHFFFAOYSA-N 1 1 378.226 2.838 20 30 GFEDMO C[C@@H]1CCCC[N@@H+]1CC(N)=NOCc1nnc(-c2ccc(Br)o2)o1 ZINC000111179360 655166079 /nfs/dbraw/zinc/16/60/79/655166079.db2.gz QYGWDQPVTICQQC-SNVBAGLBSA-N 1 1 398.261 2.755 20 30 GFEDMO C[C@@H]1CCCC[N@H+]1CC(N)=NOCc1nnc(-c2ccc(Br)o2)o1 ZINC000111179360 655166080 /nfs/dbraw/zinc/16/60/80/655166080.db2.gz QYGWDQPVTICQQC-SNVBAGLBSA-N 1 1 398.261 2.755 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)cc1OC ZINC000279436243 655328178 /nfs/dbraw/zinc/32/81/78/655328178.db2.gz OSAXOPRYHFKWLS-SFHVURJKSA-N 1 1 395.297 2.735 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)cc1OC ZINC000279436243 655328179 /nfs/dbraw/zinc/32/81/79/655328179.db2.gz OSAXOPRYHFKWLS-SFHVURJKSA-N 1 1 395.297 2.735 20 30 GFEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261855070 655442651 /nfs/dbraw/zinc/44/26/51/655442651.db2.gz RWIKFZFFTGCSQG-QGZVFWFLSA-N 1 1 375.881 2.855 20 30 GFEDMO CC[NH+]=C(NCc1ccc(Br)cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000262750036 655446838 /nfs/dbraw/zinc/44/68/38/655446838.db2.gz GEUCQCZQZYNOEK-KRWDZBQOSA-N 1 1 377.330 2.861 20 30 GFEDMO C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733181155 655608869 /nfs/dbraw/zinc/60/88/69/655608869.db2.gz JXRDLXZBQDRWJZ-XJKSGUPXSA-N 1 1 377.282 2.686 20 30 GFEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000734977840 655637526 /nfs/dbraw/zinc/63/75/26/655637526.db2.gz JYXAHZMUXVIOLN-UHFFFAOYSA-N 1 1 389.352 2.904 20 30 GFEDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735308699 655644581 /nfs/dbraw/zinc/64/45/81/655644581.db2.gz PQIZDNZEWQDYBQ-INIZCTEOSA-N 1 1 385.917 2.536 20 30 GFEDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735308699 655644582 /nfs/dbraw/zinc/64/45/82/655644582.db2.gz PQIZDNZEWQDYBQ-INIZCTEOSA-N 1 1 385.917 2.536 20 30 GFEDMO C[NH+]1CCN(c2ncc(C=NNCc3ccc(Cl)cc3Cl)cn2)CC1 ZINC000755641440 655886761 /nfs/dbraw/zinc/88/67/61/655886761.db2.gz XTLOILRHTOQQBK-UHFFFAOYSA-N 1 1 379.295 2.659 20 30 GFEDMO N#Cc1cccc(N2CC[NH+](C[C@@H](O)c3ccc(Br)cc3)CC2)n1 ZINC000760911875 655994587 /nfs/dbraw/zinc/99/45/87/655994587.db2.gz SFOTYOXIKMPGNE-QGZVFWFLSA-N 1 1 387.281 2.571 20 30 GFEDMO CCOc1cc(C=NNC2=[NH+]C[C@H](C)N2)cc(Br)c1OC(F)F ZINC000779792837 656942980 /nfs/dbraw/zinc/94/29/80/656942980.db2.gz VCXPJUPJWLYXBQ-QMMMGPOBSA-N 1 1 391.216 2.720 20 30 GFEDMO C#CCNC(=O)C1CC[NH+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC000812823724 660035358 /nfs/dbraw/zinc/03/53/58/660035358.db2.gz UTUIIFWMMVUMBB-UHFFFAOYSA-N 1 1 376.254 2.552 20 30 GFEDMO C#CC[C@H]1NC(=O)N(C2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1=O ZINC000842243400 661329960 /nfs/dbraw/zinc/32/99/60/661329960.db2.gz GYVDRQNIRFWSFX-MRXNPFEDSA-N 1 1 380.275 2.902 20 30 GFEDMO Cn1nc(Br)cc1CNC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000846105850 661532864 /nfs/dbraw/zinc/53/28/64/661532864.db2.gz ALSMRVRDZQRYCY-UHFFFAOYSA-N 1 1 388.313 2.808 20 30 GFEDMO C=CCS(=O)(=O)CC[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000848547312 661663320 /nfs/dbraw/zinc/66/33/20/661663320.db2.gz MXAZPSSPZZBRHB-UHFFFAOYSA-N 1 1 398.326 2.634 20 30 GFEDMO C#CCOc1ccc(Br)cc1CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000850396745 661774939 /nfs/dbraw/zinc/77/49/39/661774939.db2.gz OSHQZEBWVQNCAA-GOSISDBHSA-N 1 1 393.325 2.804 20 30 GFEDMO CC(C)N1CC[NH+](C2CCN(c3ncc(C#N)cc3Br)CC2)CC1 ZINC000882140466 663018087 /nfs/dbraw/zinc/01/80/87/663018087.db2.gz MGKBAADYKZTPNT-UHFFFAOYSA-N 1 1 392.345 2.711 20 30 GFEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000885287398 663088647 /nfs/dbraw/zinc/08/86/47/663088647.db2.gz RAKFYWRVIICZDZ-CIUDSAMLSA-N 1 1 380.279 2.568 20 30 GFEDMO CCC[N@@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885287606 663088819 /nfs/dbraw/zinc/08/88/19/663088819.db2.gz VBLQMQGTEOYUAV-DTORHVGOSA-N 1 1 382.295 2.958 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886803624 663119248 /nfs/dbraw/zinc/11/92/48/663119248.db2.gz LLKRODCZMGXTTF-BBRMVZONSA-N 1 1 376.444 2.898 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886803624 663119250 /nfs/dbraw/zinc/11/92/50/663119250.db2.gz LLKRODCZMGXTTF-BBRMVZONSA-N 1 1 376.444 2.898 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC000904499073 663836695 /nfs/dbraw/zinc/83/66/95/663836695.db2.gz BSHOPGYGAHXWMH-UHFFFAOYSA-N 1 1 392.257 2.958 20 30 GFEDMO N#Cc1ccc(Br)c(CNc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)c1 ZINC000922074064 664584159 /nfs/dbraw/zinc/58/41/59/664584159.db2.gz QXQGSNXIXFVHTG-UHFFFAOYSA-N 1 1 399.292 2.776 20 30 GFEDMO N#Cc1ccc(Br)c(CNc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c1 ZINC000922074064 664584160 /nfs/dbraw/zinc/58/41/60/664584160.db2.gz QXQGSNXIXFVHTG-UHFFFAOYSA-N 1 1 399.292 2.776 20 30 GFEDMO O[C@]1(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCCOC1 ZINC000932945302 664844087 /nfs/dbraw/zinc/84/40/87/664844087.db2.gz VIFKUDTXTGVJEJ-AEJSXWLSSA-N 1 1 383.279 2.631 20 30 GFEDMO C=C(Br)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2 ZINC001035207829 665075621 /nfs/dbraw/zinc/07/56/21/665075621.db2.gz JIJNTLBYCBGEMB-ALYAQQCSSA-N 1 1 395.341 2.633 20 30 GFEDMO C=C(Br)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2 ZINC001035207829 665075627 /nfs/dbraw/zinc/07/56/27/665075627.db2.gz JIJNTLBYCBGEMB-ALYAQQCSSA-N 1 1 395.341 2.633 20 30 GFEDMO CCCc1cc(C#N)c(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)nc1Cl ZINC001164684629 719725501 /nfs/dbraw/zinc/72/55/01/719725501.db2.gz IVSBGJXNPSWIBQ-UHFFFAOYSA-N 1 1 389.931 2.740 20 30 GFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C#N)nc1C)CC2 ZINC001164712226 720134324 /nfs/dbraw/zinc/13/43/24/720134324.db2.gz LEXNDYIOPFXFIG-FQEVSTJZSA-N 1 1 392.507 2.559 20 30 GFEDMO COc1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C#N ZINC001164842565 720530838 /nfs/dbraw/zinc/53/08/38/720530838.db2.gz YJORWPKITZWMKK-JENIJYKNSA-N 1 1 380.496 2.536 20 30 GFEDMO COc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(F)cc1C#N ZINC001164837141 720592673 /nfs/dbraw/zinc/59/26/73/720592673.db2.gz HETUQBSWSROIIB-ZHALLVOQSA-N 1 1 398.486 2.675 20 30 GFEDMO N#Cc1cc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164741296 720824018 /nfs/dbraw/zinc/82/40/18/720824018.db2.gz NIICSZAZLCGFQQ-ZYSHUDEJSA-N 1 1 397.914 2.578 20 30 GFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC001164779977 721341171 /nfs/dbraw/zinc/34/11/71/721341171.db2.gz XTDLSQWEYCJODV-QFIPXVFZSA-N 1 1 395.507 2.986 20 30 GFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC001164779977 721341175 /nfs/dbraw/zinc/34/11/75/721341175.db2.gz XTDLSQWEYCJODV-QFIPXVFZSA-N 1 1 395.507 2.986 20 30 GFEDMO N#Cc1cc2c(nc1N1CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C1)CCC2 ZINC001164909218 721553681 /nfs/dbraw/zinc/55/36/81/721553681.db2.gz SZXWWLIBRSCZLU-QUCCMNQESA-N 1 1 378.451 2.923 20 30 GFEDMO N#Cc1cc2c(nc1N1CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C1)CCOC2 ZINC001164907266 721561344 /nfs/dbraw/zinc/56/13/44/721561344.db2.gz NRWQMXAUFIEASM-ICSRJNTNSA-N 1 1 394.450 2.507 20 30 GFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)CCC3)[C@@H]2CCCO[C@@H]12 ZINC001164801742 721577889 /nfs/dbraw/zinc/57/78/89/721577889.db2.gz FMNVIIMDGBVRQC-YPAWHYETSA-N 1 1 389.503 2.705 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)CCC3)[C@@H]2CCCO[C@@H]12 ZINC001164801742 721577892 /nfs/dbraw/zinc/57/78/92/721577892.db2.gz FMNVIIMDGBVRQC-YPAWHYETSA-N 1 1 389.503 2.705 20 30 GFEDMO Cc1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(C=NO)c1 ZINC001164963338 722058200 /nfs/dbraw/zinc/05/82/00/722058200.db2.gz WZMOPRFTGRRTBF-UHFFFAOYSA-N 1 1 395.507 2.712 20 30 GFEDMO N#Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164978182 722102670 /nfs/dbraw/zinc/10/26/70/722102670.db2.gz GBJHUMQWLFTDAB-HKUYNNGSSA-N 1 1 383.883 2.729 20 30 GFEDMO N#Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001164981780 722103147 /nfs/dbraw/zinc/10/31/47/722103147.db2.gz MJMMQWYZORIVIT-QFBILLFUSA-N 1 1 383.883 2.729 20 30 GFEDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1cccs1 ZINC000369540951 563216634 /nfs/dbraw/zinc/21/66/34/563216634.db2.gz QYISFIWLUZNGFA-SJKOYZFVSA-N 1 1 379.482 2.730 20 30 GFEDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000282789927 563425109 /nfs/dbraw/zinc/42/51/09/563425109.db2.gz XRBQGGUSTADKHS-WCQYABFASA-N 1 1 375.416 2.680 20 30 GFEDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3ccc(Br)cc3C#N)CC2)C1 ZINC000376508814 563444605 /nfs/dbraw/zinc/44/46/05/563444605.db2.gz XNDOMMZGULUSJF-GOSISDBHSA-N 1 1 377.330 2.533 20 30 GFEDMO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000330267792 563499938 /nfs/dbraw/zinc/49/99/38/563499938.db2.gz QSHPHJRSJBZURU-CYBMUJFWSA-N 1 1 381.274 2.517 20 30 GFEDMO C=CC[NH+]1CCC(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000285506227 563524419 /nfs/dbraw/zinc/52/44/19/563524419.db2.gz YAWBICFUNKYJBQ-UHFFFAOYSA-N 1 1 384.929 2.661 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000289599732 563680195 /nfs/dbraw/zinc/68/01/95/563680195.db2.gz KTUHRHJGWGZTGQ-CYBMUJFWSA-N 1 1 381.929 2.683 20 30 GFEDMO COc1ccc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)c(Br)c1 ZINC000367321195 563840709 /nfs/dbraw/zinc/84/07/09/563840709.db2.gz DQZDCYARSODCDX-UHFFFAOYSA-N 1 1 376.258 2.758 20 30 GFEDMO N#Cc1cccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1Br ZINC000448966505 563904099 /nfs/dbraw/zinc/90/40/99/563904099.db2.gz GAUREBNOXXBTOU-CQSZACIVSA-N 1 1 392.297 2.505 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000564589991 564240562 /nfs/dbraw/zinc/24/05/62/564240562.db2.gz GAMAPPMHECAVND-CYBMUJFWSA-N 1 1 392.297 2.939 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000564589991 564240565 /nfs/dbraw/zinc/24/05/65/564240565.db2.gz GAMAPPMHECAVND-CYBMUJFWSA-N 1 1 392.297 2.939 20 30 GFEDMO CCC[N@@H+](C)[C@@H](CNS(=O)(=O)N(CC)CCC#N)c1ccc(Cl)cc1 ZINC000509620748 564305781 /nfs/dbraw/zinc/30/57/81/564305781.db2.gz VRDNTEXJYIDJBG-KRWDZBQOSA-N 1 1 386.949 2.793 20 30 GFEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccsc1 ZINC000489117015 564730382 /nfs/dbraw/zinc/73/03/82/564730382.db2.gz ONGLABWKBLECBR-QGZVFWFLSA-N 1 1 378.523 2.685 20 30 GFEDMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000579650397 564750446 /nfs/dbraw/zinc/75/04/46/564750446.db2.gz AFCILAIJSKMPNO-LBPRGKRZSA-N 1 1 388.331 2.719 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000459663705 564755667 /nfs/dbraw/zinc/75/56/67/564755667.db2.gz XZIATIYZHVFANU-ZDUSSCGKSA-N 1 1 398.301 2.544 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000459663705 564755671 /nfs/dbraw/zinc/75/56/71/564755671.db2.gz XZIATIYZHVFANU-ZDUSSCGKSA-N 1 1 398.301 2.544 20 30 GFEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)CCn1cc(Br)cn1 ZINC000580626511 564766982 /nfs/dbraw/zinc/76/69/82/564766982.db2.gz YQSHLXNORJJQSU-UHFFFAOYSA-N 1 1 379.258 2.537 20 30 GFEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)CCn1cc(Br)cn1 ZINC000554748755 564772907 /nfs/dbraw/zinc/77/29/07/564772907.db2.gz FTJWVZPXPJCSGB-KRWDZBQOSA-N 1 1 394.313 2.746 20 30 GFEDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000558480207 564903437 /nfs/dbraw/zinc/90/34/37/564903437.db2.gz BJLBXFJCYUGCOC-GFCCVEGCSA-N 1 1 377.432 2.976 20 30 GFEDMO C[N@@H+]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H](c2ccccc2)C1 ZINC000498850326 564910247 /nfs/dbraw/zinc/91/02/47/564910247.db2.gz AHVQTLAZCYAGFW-WMZOPIPTSA-N 1 1 375.881 2.588 20 30 GFEDMO C[N@H+]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H](c2ccccc2)C1 ZINC000498850326 564910249 /nfs/dbraw/zinc/91/02/49/564910249.db2.gz AHVQTLAZCYAGFW-WMZOPIPTSA-N 1 1 375.881 2.588 20 30 GFEDMO C=CCN1CC[C@H]([N@H+](CCC(=O)OC)Cc2cccc(Br)c2)C1=O ZINC000499710327 564934628 /nfs/dbraw/zinc/93/46/28/564934628.db2.gz UMVLQRFCPSWUGE-INIZCTEOSA-N 1 1 395.297 2.601 20 30 GFEDMO C=CCN1CC[C@H]([N@@H+](CCC(=O)OC)Cc2cccc(Br)c2)C1=O ZINC000499710327 564934630 /nfs/dbraw/zinc/93/46/30/564934630.db2.gz UMVLQRFCPSWUGE-INIZCTEOSA-N 1 1 395.297 2.601 20 30 GFEDMO N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594198184 565378778 /nfs/dbraw/zinc/37/87/78/565378778.db2.gz SUVMHRJCHAQDSM-IRXDYDNUSA-N 1 1 376.298 2.996 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)CCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000601481124 565787256 /nfs/dbraw/zinc/78/72/56/565787256.db2.gz RMYPRDOKYBISHM-HNNXBMFYSA-N 1 1 377.432 2.921 20 30 GFEDMO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000602796741 565868149 /nfs/dbraw/zinc/86/81/49/565868149.db2.gz FRCLPGRHDDJFRR-KRWDZBQOSA-N 1 1 387.281 2.932 20 30 GFEDMO N#Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000737716341 598918797 /nfs/dbraw/zinc/91/87/97/598918797.db2.gz PLZUYSQIPOLLMT-KRWDZBQOSA-N 1 1 387.447 2.589 20 30 GFEDMO N#Cc1ccc(F)c(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737719760 598767286 /nfs/dbraw/zinc/76/72/86/598767286.db2.gz WYFHGQASLQVEKP-UHFFFAOYSA-N 1 1 378.411 2.921 20 30 GFEDMO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000822801786 606072096 /nfs/dbraw/zinc/07/20/96/606072096.db2.gz ONMRCXUXFGEKJZ-HXUWFJFHSA-N 1 1 398.474 2.502 20 30 GFEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000822830268 607059435 /nfs/dbraw/zinc/05/94/35/607059435.db2.gz ZZLQCJPCYKFJPS-UHFFFAOYSA-N 1 1 377.427 2.590 20 30 GFEDMO N#Cc1ccc(F)cc1C[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000822830268 607059436 /nfs/dbraw/zinc/05/94/36/607059436.db2.gz ZZLQCJPCYKFJPS-UHFFFAOYSA-N 1 1 377.427 2.590 20 30 GFEDMO C[C@@]1(C#N)CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C1 ZINC000824779965 608125812 /nfs/dbraw/zinc/12/58/12/608125812.db2.gz YRKQVZSEGMAQJS-IBGZPJMESA-N 1 1 399.524 2.761 20 30 GFEDMO C[C@@]1(C#N)CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C1 ZINC000824779965 608125813 /nfs/dbraw/zinc/12/58/13/608125813.db2.gz YRKQVZSEGMAQJS-IBGZPJMESA-N 1 1 399.524 2.761 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)c1cc(Br)c(OCC)c(OC)c1 ZINC000818599368 660229713 /nfs/dbraw/zinc/22/97/13/660229713.db2.gz MJBCBNRTLSGHLU-UHFFFAOYSA-N 1 1 383.286 2.541 20 30 GFEDMO N#Cc1ccc(OCC(=O)O[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000835397224 660855009 /nfs/dbraw/zinc/85/50/09/660855009.db2.gz RVFAEJFBGVPUAE-HIFRSBDPSA-N 1 1 379.254 2.870 20 30 GFEDMO C=C(Br)CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000171186118 655149408 /nfs/dbraw/zinc/14/94/08/655149408.db2.gz DKRGRWLFRZPTCQ-AWEZNQCLSA-N 1 1 382.302 2.615 20 30 GFEDMO C=C(Br)CNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000171186118 655149409 /nfs/dbraw/zinc/14/94/09/655149409.db2.gz DKRGRWLFRZPTCQ-AWEZNQCLSA-N 1 1 382.302 2.615 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1OC ZINC000279436240 655328164 /nfs/dbraw/zinc/32/81/64/655328164.db2.gz OSAXOPRYHFKWLS-GOSISDBHSA-N 1 1 395.297 2.735 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1OC ZINC000279436240 655328166 /nfs/dbraw/zinc/32/81/66/655328166.db2.gz OSAXOPRYHFKWLS-GOSISDBHSA-N 1 1 395.297 2.735 20 30 GFEDMO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)ccc1C#N ZINC000262214151 655444489 /nfs/dbraw/zinc/44/44/89/655444489.db2.gz FDJHGCYRGYTRTR-SFHVURJKSA-N 1 1 375.881 2.855 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000729808995 655568645 /nfs/dbraw/zinc/56/86/45/655568645.db2.gz IBUJRTHTGWFBFG-TZMCWYRMSA-N 1 1 384.245 2.996 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000729809985 655568701 /nfs/dbraw/zinc/56/87/01/655568701.db2.gz QGTKNJIXVYUENZ-BBRMVZONSA-N 1 1 378.881 2.784 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000729812347 655568846 /nfs/dbraw/zinc/56/88/46/655568846.db2.gz SOPYAIJPUPGHFY-KRWDZBQOSA-N 1 1 388.265 2.889 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000729812347 655568847 /nfs/dbraw/zinc/56/88/47/655568847.db2.gz SOPYAIJPUPGHFY-KRWDZBQOSA-N 1 1 388.265 2.889 20 30 GFEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cc(Cl)ccc1Cl ZINC000753687903 655857318 /nfs/dbraw/zinc/85/73/18/655857318.db2.gz AMQBHHLQNXOUNT-UHFFFAOYSA-N 1 1 375.325 2.514 20 30 GFEDMO COc1cc(Br)c(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1OC ZINC000753932981 655861033 /nfs/dbraw/zinc/86/10/33/655861033.db2.gz ADKZXBIGBHBHOO-STQMWFEESA-N 1 1 381.274 2.660 20 30 GFEDMO C[C@@H](C#N)OCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000801940900 659435303 /nfs/dbraw/zinc/43/53/03/659435303.db2.gz SXSOROLZKIIXHC-WMLDXEAASA-N 1 1 377.286 2.560 20 30 GFEDMO C[C@@H](C#N)OCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000801940901 659435634 /nfs/dbraw/zinc/43/56/34/659435634.db2.gz SXSOROLZKIIXHC-YOEHRIQHSA-N 1 1 377.286 2.560 20 30 GFEDMO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366143 661417050 /nfs/dbraw/zinc/41/70/50/661417050.db2.gz HJKRASWZLWPGQK-MRXNPFEDSA-N 1 1 377.897 2.897 20 30 GFEDMO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366143 661417062 /nfs/dbraw/zinc/41/70/62/661417062.db2.gz HJKRASWZLWPGQK-MRXNPFEDSA-N 1 1 377.897 2.897 20 30 GFEDMO C#CCC[N@H+](CCOC)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000852751478 661873398 /nfs/dbraw/zinc/87/33/98/661873398.db2.gz DXIBGGBIMRRKRJ-CQSZACIVSA-N 1 1 390.705 2.814 20 30 GFEDMO Cn1nccc1[C@@H](O)C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000856800468 662044593 /nfs/dbraw/zinc/04/45/93/662044593.db2.gz YXZNOQWPGAOWAY-SFHVURJKSA-N 1 1 389.297 3.000 20 30 GFEDMO C[N@H+]1C[C@@]2(C)CN(C(=O)Cc3ccc(Br)cc3C#N)C[C@@]2(C)C1 ZINC000864078586 662353820 /nfs/dbraw/zinc/35/38/20/662353820.db2.gz XWRAPNROQCJCRR-HDICACEKSA-N 1 1 376.298 2.663 20 30 GFEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2c(I)cnn2C)cc1 ZINC000866630298 662485219 /nfs/dbraw/zinc/48/52/19/662485219.db2.gz OANYGJYHYMMIRH-LBPRGKRZSA-N 1 1 395.244 2.888 20 30 GFEDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(Br)c(C#N)n3)C2)C1 ZINC000883110937 663049652 /nfs/dbraw/zinc/04/96/52/663049652.db2.gz OKOCDLGQPYCEDE-MRXNPFEDSA-N 1 1 378.274 2.665 20 30 GFEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)S(=O)(=O)CC3(CC#N)CC3)C2)s1 ZINC000907347474 664026797 /nfs/dbraw/zinc/02/67/97/664026797.db2.gz ROHMODQPFJENHK-INIZCTEOSA-N 1 1 381.567 2.834 20 30 GFEDMO N#Cc1cc(CS(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000913913210 664365418 /nfs/dbraw/zinc/36/54/18/664365418.db2.gz VXMNYUKSIZIOMX-QGZVFWFLSA-N 1 1 375.519 2.704 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)Cc1csc(C#N)c1)c1ccc(Cl)cc1 ZINC000915342588 664428296 /nfs/dbraw/zinc/42/82/96/664428296.db2.gz YGHTWZHULHBZES-MRXNPFEDSA-N 1 1 383.926 2.995 20 30 GFEDMO C=CCn1cc(C[NH2+]Cc2cc(C)c(I)cc2C)nn1 ZINC000922198268 664589792 /nfs/dbraw/zinc/58/97/92/664589792.db2.gz QAZURKQFAPEXFN-UHFFFAOYSA-N 1 1 382.249 2.975 20 30 GFEDMO C#CCOc1ccc(Br)cc1CNC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000922950654 664619659 /nfs/dbraw/zinc/61/96/59/664619659.db2.gz BOKXMLGRQCGJTM-GOSISDBHSA-N 1 1 393.325 2.804 20 30 GFEDMO C#CCOc1ccc(Br)cc1CNC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000922950654 664619661 /nfs/dbraw/zinc/61/96/61/664619661.db2.gz BOKXMLGRQCGJTM-GOSISDBHSA-N 1 1 393.325 2.804 20 30 GFEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2cccc(Br)c2COC)C1 ZINC000930084782 664762481 /nfs/dbraw/zinc/76/24/81/664762481.db2.gz CNFFSJHWWVJNBR-ZDUSSCGKSA-N 1 1 380.286 2.815 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(Br)c2COC)C1 ZINC000930084782 664762482 /nfs/dbraw/zinc/76/24/82/664762482.db2.gz CNFFSJHWWVJNBR-ZDUSSCGKSA-N 1 1 380.286 2.815 20 30 GFEDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccc(C#N)cc1I ZINC000932548464 664825524 /nfs/dbraw/zinc/82/55/24/664825524.db2.gz ANAMNAQDZSHIQN-LBPRGKRZSA-N 1 1 398.248 2.721 20 30 GFEDMO O=C1OCCN1CC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932939949 664843176 /nfs/dbraw/zinc/84/31/76/664843176.db2.gz LFCRHNRDHQNJBK-YUMQZZPRSA-N 1 1 382.251 2.541 20 30 GFEDMO CN1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932941056 664843522 /nfs/dbraw/zinc/84/35/22/664843522.db2.gz ABXNLDLUKGAESL-HRDYMLBCSA-N 1 1 380.279 2.710 20 30 GFEDMO CN(C(=O)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1CC1 ZINC000932948687 664844471 /nfs/dbraw/zinc/84/44/71/664844471.db2.gz LYBVIPTVXOXLOS-RKDXNWHRSA-N 1 1 380.279 2.710 20 30 GFEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3ccc(C#N)cc31)C2 ZINC001164815258 720085629 /nfs/dbraw/zinc/08/56/29/720085629.db2.gz XTOVUFXIXQDJGF-AVRDEDQJSA-N 1 1 377.492 2.686 20 30 GFEDMO Cc1ncc(C#N)c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164844485 720680730 /nfs/dbraw/zinc/68/07/30/720680730.db2.gz SIIMFDSMIZEFSI-FQEVSTJZSA-N 1 1 377.492 2.917 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)c(Cl)cc4C#N)C[C@H]3C2)cn1 ZINC001164768267 721134473 /nfs/dbraw/zinc/13/44/73/721134473.db2.gz OARNHQIGEPYFIC-DZGCQCFKSA-N 1 1 391.306 2.952 20 30 GFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Cl)c2C#N)[C@@H]2CCCO[C@H]12 ZINC001164810137 721540001 /nfs/dbraw/zinc/54/00/01/721540001.db2.gz XDGLVHISVLTAMI-QRVBRYPASA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Cl)c2C#N)[C@@H]2CCCO[C@H]12 ZINC001164810137 721540007 /nfs/dbraw/zinc/54/00/07/721540007.db2.gz XDGLVHISVLTAMI-QRVBRYPASA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(C#N)ccc3[N+](=O)[O-])C[C@@H]21 ZINC001165027303 721811492 /nfs/dbraw/zinc/81/14/92/721811492.db2.gz UGXHYHVKZZKPOQ-AYOQOUSVSA-N 1 1 392.463 2.993 20 30 GFEDMO N#Cc1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(F)c1 ZINC001164959963 722058197 /nfs/dbraw/zinc/05/81/97/722058197.db2.gz ASWSNVHLIALJSH-UHFFFAOYSA-N 1 1 381.455 2.606 20 30 GFEDMO N#CCc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164981048 722150373 /nfs/dbraw/zinc/15/03/73/722150373.db2.gz OLBVGLJKRLNNKS-AZUAARDMSA-N 1 1 397.910 2.923 20 30 GFEDMO C[N@@H+](Cc1ccc(Br)o1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000030536914 551128003 /nfs/dbraw/zinc/12/80/03/551128003.db2.gz UGPNBVUEUWLXJV-CQSZACIVSA-N 1 1 379.254 2.980 20 30 GFEDMO C[N@H+](Cc1ccc(Br)o1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000030536914 551128005 /nfs/dbraw/zinc/12/80/05/551128005.db2.gz UGPNBVUEUWLXJV-CQSZACIVSA-N 1 1 379.254 2.980 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccc(F)cc1 ZINC000055277831 551172393 /nfs/dbraw/zinc/17/23/93/551172393.db2.gz KTQCASSBGAVTFC-KRWDZBQOSA-N 1 1 381.860 2.932 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000121623190 551238265 /nfs/dbraw/zinc/23/82/65/551238265.db2.gz SCMWTFOOFOBMBV-RDTXWAMCSA-N 1 1 379.913 2.849 20 30 GFEDMO Cn1cc(Br)cc1C[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000151588402 551417128 /nfs/dbraw/zinc/41/71/28/551417128.db2.gz WZNYAEJUSMCWDW-MRXNPFEDSA-N 1 1 378.270 2.531 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)cc1OCC ZINC000157109737 551533318 /nfs/dbraw/zinc/53/33/18/551533318.db2.gz LFVXTCANOCDYKI-CYBMUJFWSA-N 1 1 383.286 2.720 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C(N)=O)C2)cc1OCC ZINC000157109737 551533319 /nfs/dbraw/zinc/53/33/19/551533319.db2.gz LFVXTCANOCDYKI-CYBMUJFWSA-N 1 1 383.286 2.720 20 30 GFEDMO N#Cc1c(NC(=O)CC[N@H+]2CCS[C@H]3COCC[C@H]32)sc2c1CCC2 ZINC000246569088 553110274 /nfs/dbraw/zinc/11/02/74/553110274.db2.gz BQTALMXQDDCWIQ-ZBFHGGJFSA-N 1 1 377.535 2.643 20 30 GFEDMO C=CCC[C@@H](O)C[N@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC000425517646 563426613 /nfs/dbraw/zinc/42/66/13/563426613.db2.gz LMPLPSTUSXKIHO-IXDOHACOSA-N 1 1 382.298 2.965 20 30 GFEDMO CC(C)N1CC[NH+]([C@@H]2CCN(Cc3ccc(Br)cc3C#N)C2)CC1 ZINC000376546654 563445949 /nfs/dbraw/zinc/44/59/49/563445949.db2.gz QKGFXTWXNWILED-LJQANCHMSA-N 1 1 391.357 2.921 20 30 GFEDMO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000329378232 563479224 /nfs/dbraw/zinc/47/92/24/563479224.db2.gz OXHLYHIPGTUDHJ-CQSZACIVSA-N 1 1 393.329 2.984 20 30 GFEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000330015638 563493687 /nfs/dbraw/zinc/49/36/87/563493687.db2.gz OHIKRCOOSOYQGV-ZFWWWQNUSA-N 1 1 386.279 2.776 20 30 GFEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000330015638 563493691 /nfs/dbraw/zinc/49/36/91/563493691.db2.gz OHIKRCOOSOYQGV-ZFWWWQNUSA-N 1 1 386.279 2.776 20 30 GFEDMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC1 ZINC000330646719 563515411 /nfs/dbraw/zinc/51/54/11/563515411.db2.gz IWGNCHVGJIIFKC-LBPRGKRZSA-N 1 1 376.284 2.936 20 30 GFEDMO CC[C@H]1CN(C(=O)Nc2ccc(Br)c(F)c2)CC[N@H+]1C[C@H](C)O ZINC000330660718 563516187 /nfs/dbraw/zinc/51/61/87/563516187.db2.gz UXJGLNDUGSRYBA-AAEUAGOBSA-N 1 1 388.281 2.911 20 30 GFEDMO C[C@H](NS(=O)(=O)c1ccc(C#N)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386616585 563518849 /nfs/dbraw/zinc/51/88/49/563518849.db2.gz NHQSTUHVKQFUMB-GOEBONIOSA-N 1 1 375.519 2.809 20 30 GFEDMO CCOc1c(Cl)cc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1Cl ZINC000330997099 563530561 /nfs/dbraw/zinc/53/05/61/563530561.db2.gz OSNQYAYTJMERCY-LBPRGKRZSA-N 1 1 375.300 2.964 20 30 GFEDMO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000435434358 563650241 /nfs/dbraw/zinc/65/02/41/563650241.db2.gz SBEAYNNIOLELBI-CYBMUJFWSA-N 1 1 375.416 2.728 20 30 GFEDMO N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000443086128 563791180 /nfs/dbraw/zinc/79/11/80/563791180.db2.gz LZUGNWJNVQAHMW-HNNXBMFYSA-N 1 1 375.881 2.764 20 30 GFEDMO N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000443086128 563791183 /nfs/dbraw/zinc/79/11/83/563791183.db2.gz LZUGNWJNVQAHMW-HNNXBMFYSA-N 1 1 375.881 2.764 20 30 GFEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cccc(C#N)c2Br)C[C@H](C)O1 ZINC000448621802 563899181 /nfs/dbraw/zinc/89/91/81/563899181.db2.gz MOEVWWAIQHNCDE-STQMWFEESA-N 1 1 394.313 2.938 20 30 GFEDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)CCO1 ZINC000448941328 563903564 /nfs/dbraw/zinc/90/35/64/563903564.db2.gz LPVKGASMRHVSSS-ZDUSSCGKSA-N 1 1 392.297 2.646 20 30 GFEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000450105495 564217450 /nfs/dbraw/zinc/21/74/50/564217450.db2.gz PEUAXMYBIVONDN-CQSZACIVSA-N 1 1 394.313 2.794 20 30 GFEDMO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000509422892 564298335 /nfs/dbraw/zinc/29/83/35/564298335.db2.gz DRGLYHDCFWLSKA-PBHICJAKSA-N 1 1 384.933 2.545 20 30 GFEDMO CC[N@H+](CCNS(=O)(=O)c1ccc(CC#N)cc1Cl)CCC(F)(F)F ZINC000451471729 564316925 /nfs/dbraw/zinc/31/69/25/564316925.db2.gz ZCDWBSZNIKICSD-UHFFFAOYSA-N 1 1 397.850 2.959 20 30 GFEDMO CC[N@@H+](CCNS(=O)(=O)c1ccc(CC#N)cc1Cl)CCC(F)(F)F ZINC000451471729 564316928 /nfs/dbraw/zinc/31/69/28/564316928.db2.gz ZCDWBSZNIKICSD-UHFFFAOYSA-N 1 1 397.850 2.959 20 30 GFEDMO C=C(C)CCNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000455892352 564579439 /nfs/dbraw/zinc/57/94/39/564579439.db2.gz HJWSFYGMXACLED-UHFFFAOYSA-N 1 1 382.306 2.684 20 30 GFEDMO C=CCOCCCC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456581516 564618848 /nfs/dbraw/zinc/61/88/48/564618848.db2.gz KZRADSDAPFXAGP-UHFFFAOYSA-N 1 1 397.317 2.517 20 30 GFEDMO C=CCOc1c(Br)cc(C[NH2+]Cc2cnnn2CC)cc1OC ZINC000527729675 564758664 /nfs/dbraw/zinc/75/86/64/564758664.db2.gz RCHJXVXBQZUBGY-UHFFFAOYSA-N 1 1 381.274 2.924 20 30 GFEDMO C[C@]12CC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C[C@H]1C2(Cl)Cl ZINC000528497996 564789308 /nfs/dbraw/zinc/78/93/08/564789308.db2.gz SKTVYLIRGBFRIR-QAPCUYQASA-N 1 1 377.271 2.802 20 30 GFEDMO C[C@]12CC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C[C@H]1C2(Cl)Cl ZINC000528497996 564789311 /nfs/dbraw/zinc/78/93/11/564789311.db2.gz SKTVYLIRGBFRIR-QAPCUYQASA-N 1 1 377.271 2.802 20 30 GFEDMO CC[N@H+](CCNS(=O)(=O)c1ccc(C#N)c(Cl)c1)CCC(F)(F)F ZINC000494405210 564828159 /nfs/dbraw/zinc/82/81/59/564828159.db2.gz MGWIJAFVNZLXRY-UHFFFAOYSA-N 1 1 383.823 2.764 20 30 GFEDMO CC[N@@H+](CCNS(=O)(=O)c1ccc(C#N)c(Cl)c1)CCC(F)(F)F ZINC000494405210 564828165 /nfs/dbraw/zinc/82/81/65/564828165.db2.gz MGWIJAFVNZLXRY-UHFFFAOYSA-N 1 1 383.823 2.764 20 30 GFEDMO CSc1ccc([C@@H](CNS(=O)(=O)c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000559199668 564926797 /nfs/dbraw/zinc/92/67/97/564926797.db2.gz IGNHZJMPKGDJQN-GOSISDBHSA-N 1 1 375.519 2.861 20 30 GFEDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000562519155 565031350 /nfs/dbraw/zinc/03/13/50/565031350.db2.gz HMLBOVBDWLBTHQ-ZDUSSCGKSA-N 1 1 380.286 2.546 20 30 GFEDMO C=CC[C@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000661380241 565321230 /nfs/dbraw/zinc/32/12/30/565321230.db2.gz LNCCWXKSSGSODP-AWEZNQCLSA-N 1 1 394.313 2.792 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000594754242 565415474 /nfs/dbraw/zinc/41/54/74/565415474.db2.gz QPEATMQXAMINDS-HNNXBMFYSA-N 1 1 375.519 2.939 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000594754242 565415480 /nfs/dbraw/zinc/41/54/80/565415480.db2.gz QPEATMQXAMINDS-HNNXBMFYSA-N 1 1 375.519 2.939 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594788145 565420191 /nfs/dbraw/zinc/42/01/91/565420191.db2.gz FQLSGOMKVZPPQK-LBPRGKRZSA-N 1 1 375.416 2.728 20 30 GFEDMO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000602796744 565868375 /nfs/dbraw/zinc/86/83/75/565868375.db2.gz FRCLPGRHDDJFRR-QGZVFWFLSA-N 1 1 387.281 2.932 20 30 GFEDMO CC(C)N1CC[NH+](C2CCN(c3cc(C#N)c(Br)cn3)CC2)CC1 ZINC000603330995 565897657 /nfs/dbraw/zinc/89/76/57/565897657.db2.gz GSUFRAWMABNIHC-UHFFFAOYSA-N 1 1 392.345 2.711 20 30 GFEDMO N#Cc1cccc(OC2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC2)c1 ZINC000737731155 598249318 /nfs/dbraw/zinc/24/93/18/598249318.db2.gz YWGMAUXXZSLSNC-UHFFFAOYSA-N 1 1 378.411 2.921 20 30 GFEDMO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000735418633 598482861 /nfs/dbraw/zinc/48/28/61/598482861.db2.gz HTPXWFLOQNRNQO-CALCHBBNSA-N 1 1 397.527 2.827 20 30 GFEDMO C=CCCC[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000735412525 599476396 /nfs/dbraw/zinc/47/63/96/599476396.db2.gz FFSFDBSEFCUWMJ-UHFFFAOYSA-N 1 1 397.483 2.763 20 30 GFEDMO CC1(C)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCN1Cc1ccc(C#N)cc1 ZINC000820601223 606086844 /nfs/dbraw/zinc/08/68/44/606086844.db2.gz FYKWLKDBSDDJQM-UHFFFAOYSA-N 1 1 387.491 2.835 20 30 GFEDMO Cc1[nH+]ccn1-c1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000822477195 606340042 /nfs/dbraw/zinc/34/00/42/606340042.db2.gz JDMHVZYRKWVSMQ-FPLPWBNLSA-N 1 1 396.414 2.905 20 30 GFEDMO C[C@@H](C#N)C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)C1CC1 ZINC000824034101 607831538 /nfs/dbraw/zinc/83/15/38/607831538.db2.gz GYOLAXIOTASPDB-LBPRGKRZSA-N 1 1 399.524 2.760 20 30 GFEDMO C[C@@H](C#N)C[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)C1CC1 ZINC000824034101 607831539 /nfs/dbraw/zinc/83/15/39/607831539.db2.gz GYOLAXIOTASPDB-LBPRGKRZSA-N 1 1 399.524 2.760 20 30 GFEDMO CC(=NNCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823953692 609516218 /nfs/dbraw/zinc/51/62/18/609516218.db2.gz MDEFANWAFPGCAX-HXUWFJFHSA-N 1 1 375.480 2.854 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)CSCc1ccc(Br)cc1F ZINC000818612322 660230059 /nfs/dbraw/zinc/23/00/59/660230059.db2.gz WGOFELXRYGBCLU-UHFFFAOYSA-N 1 1 387.318 2.893 20 30 GFEDMO C#C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCOC)c1ccc(Br)cc1 ZINC000836316504 660899355 /nfs/dbraw/zinc/89/93/55/660899355.db2.gz QZDQWHDXSVFHDO-DLBZAZTESA-N 1 1 394.313 2.533 20 30 GFEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000127286495 654826894 /nfs/dbraw/zinc/82/68/94/654826894.db2.gz VJPWIRJFNDKFFX-HNNXBMFYSA-N 1 1 378.314 2.725 20 30 GFEDMO Cn1cc[nH+]c1CC1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000128648015 654849837 /nfs/dbraw/zinc/84/98/37/654849837.db2.gz MMBFZAHVPYLIGG-UHFFFAOYSA-N 1 1 378.885 2.589 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+](C)C[C@@H](C)C(=O)NC)cc1OC ZINC000093899210 655021963 /nfs/dbraw/zinc/02/19/63/655021963.db2.gz MPTUXDFVQMRELN-GFCCVEGCSA-N 1 1 385.302 2.836 20 30 GFEDMO C=CC[N@H+](CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)C1CC1 ZINC000271387832 655079136 /nfs/dbraw/zinc/07/91/36/655079136.db2.gz JKQMRMITLIVMAP-UHFFFAOYSA-N 1 1 385.917 2.569 20 30 GFEDMO CC[NH+]=C(NCCc1ccc(Br)cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000176163776 655237947 /nfs/dbraw/zinc/23/79/47/655237947.db2.gz LFHFJUCUSNYKTG-GOSISDBHSA-N 1 1 391.357 2.903 20 30 GFEDMO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181068920 655332084 /nfs/dbraw/zinc/33/20/84/655332084.db2.gz ZVTHXEZXYVEXLI-IRXDYDNUSA-N 1 1 388.265 2.513 20 30 GFEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181068920 655332086 /nfs/dbraw/zinc/33/20/86/655332086.db2.gz ZVTHXEZXYVEXLI-IRXDYDNUSA-N 1 1 388.265 2.513 20 30 GFEDMO Cc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1Br ZINC000579948158 655506060 /nfs/dbraw/zinc/50/60/60/655506060.db2.gz SNZKUOYGGNBASB-UHFFFAOYSA-N 1 1 394.294 2.588 20 30 GFEDMO N#Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1Br ZINC000580035232 655507143 /nfs/dbraw/zinc/50/71/43/655507143.db2.gz NKMQGNRWTVGXHB-HZPDHXFCSA-N 1 1 392.297 2.694 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000730276907 655573280 /nfs/dbraw/zinc/57/32/80/655573280.db2.gz DXSYNMQBFZOXQJ-SFHVURJKSA-N 1 1 386.293 2.913 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000730276907 655573281 /nfs/dbraw/zinc/57/32/81/655573281.db2.gz DXSYNMQBFZOXQJ-SFHVURJKSA-N 1 1 386.293 2.913 20 30 GFEDMO COC(=O)CC[N@@H+](Cc1ccc(Br)cc1C#N)C1CCOCC1 ZINC000805742551 659806788 /nfs/dbraw/zinc/80/67/88/659806788.db2.gz MWIAZPKURUDQED-UHFFFAOYSA-N 1 1 381.270 2.865 20 30 GFEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000815082180 660110424 /nfs/dbraw/zinc/11/04/24/660110424.db2.gz CRRKSICKCNDEPQ-UHFFFAOYSA-N 1 1 384.929 2.752 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000815940456 660136764 /nfs/dbraw/zinc/13/67/64/660136764.db2.gz VYYABYWCTVIRSD-MRXNPFEDSA-N 1 1 388.265 2.889 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000815940456 660136766 /nfs/dbraw/zinc/13/67/66/660136766.db2.gz VYYABYWCTVIRSD-MRXNPFEDSA-N 1 1 388.265 2.889 20 30 GFEDMO Cc1ccc(Br)c([N-][NH+]=Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000841656795 661307328 /nfs/dbraw/zinc/30/73/28/661307328.db2.gz CCJUMEWVVSCYQW-UHFFFAOYSA-N 1 1 389.301 2.745 20 30 GFEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC000848923612 661689576 /nfs/dbraw/zinc/68/95/76/661689576.db2.gz GZPDIQGYAIJRCJ-ZIAGYGMSSA-N 1 1 379.298 2.808 20 30 GFEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC000848923612 661689584 /nfs/dbraw/zinc/68/95/84/661689584.db2.gz GZPDIQGYAIJRCJ-ZIAGYGMSSA-N 1 1 379.298 2.808 20 30 GFEDMO CC[N@H+]1CCC[C@@H]1CNC(=S)NNc1cc(C#N)ccc1Br ZINC000849289266 661703431 /nfs/dbraw/zinc/70/34/31/661703431.db2.gz SYRKOXAIPIWDNT-GFCCVEGCSA-N 1 1 382.331 2.596 20 30 GFEDMO C#CCC[N@@H+](CCOC)CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000853621164 661895364 /nfs/dbraw/zinc/89/53/64/661895364.db2.gz RUBUISGAXCGGTP-UHFFFAOYSA-N 1 1 377.282 2.604 20 30 GFEDMO C#CCC[N@H+](CCOC)CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000853621164 661895365 /nfs/dbraw/zinc/89/53/65/661895365.db2.gz RUBUISGAXCGGTP-UHFFFAOYSA-N 1 1 377.282 2.604 20 30 GFEDMO Cn1nccc1[C@H](O)C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000856800467 662044629 /nfs/dbraw/zinc/04/46/29/662044629.db2.gz YXZNOQWPGAOWAY-GOSISDBHSA-N 1 1 389.297 3.000 20 30 GFEDMO COC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1cccc(Br)c1 ZINC000879661952 662934906 /nfs/dbraw/zinc/93/49/06/662934906.db2.gz MWHIGDNMYBCDJG-DOTOQJQBSA-N 1 1 382.302 2.781 20 30 GFEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883093056 663048751 /nfs/dbraw/zinc/04/87/51/663048751.db2.gz IKMUDWWDBAPBPD-GFCCVEGCSA-N 1 1 380.290 2.911 20 30 GFEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2nc(Cl)c(C#N)s2)[C@H](C)C1 ZINC000888412477 663195685 /nfs/dbraw/zinc/19/56/85/663195685.db2.gz LJROTKZKMPKCRK-VXGBXAGGSA-N 1 1 385.921 2.927 20 30 GFEDMO C#C[C@@H](NC(=O)CC[NH+]1CCN(C(C)C)CC1)c1ccc(Br)cc1 ZINC000908516576 664111694 /nfs/dbraw/zinc/11/16/94/664111694.db2.gz JPNTVDNWOKNXLI-GOSISDBHSA-N 1 1 392.341 2.656 20 30 GFEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC001164643264 719215365 /nfs/dbraw/zinc/21/53/65/719215365.db2.gz YLQOWBJGNDDVMB-MNOVXSKESA-N 1 1 386.830 2.857 20 30 GFEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC001164643264 719215371 /nfs/dbraw/zinc/21/53/71/719215371.db2.gz YLQOWBJGNDDVMB-MNOVXSKESA-N 1 1 386.830 2.857 20 30 GFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(C#N)c1F)CC2 ZINC001164714239 720118250 /nfs/dbraw/zinc/11/82/50/720118250.db2.gz BBJDSHMVMYKWRB-IBGZPJMESA-N 1 1 395.482 2.995 20 30 GFEDMO N#CC1(c2ccc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2)CCOCC1 ZINC001164726954 720428497 /nfs/dbraw/zinc/42/84/97/720428497.db2.gz CMGQUXKDOLZVPX-NHCUHLMSSA-N 1 1 389.503 2.902 20 30 GFEDMO N#Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1Cl ZINC001164744108 720814030 /nfs/dbraw/zinc/81/40/30/720814030.db2.gz HJVQNFVGKPQHDO-JTDSTZFVSA-N 1 1 397.914 2.578 20 30 GFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC001164779975 721340132 /nfs/dbraw/zinc/34/01/32/721340132.db2.gz XTDLSQWEYCJODV-JOCHJYFZSA-N 1 1 395.507 2.986 20 30 GFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)ccc3C#N)C2)C1 ZINC001164779975 721340136 /nfs/dbraw/zinc/34/01/36/721340136.db2.gz XTDLSQWEYCJODV-JOCHJYFZSA-N 1 1 395.507 2.986 20 30 GFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1C#N)CC2 ZINC001164787685 721450802 /nfs/dbraw/zinc/45/08/02/721450802.db2.gz PKCMZWRESNUQMG-FQEVSTJZSA-N 1 1 384.524 2.687 20 30 GFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C)c(C#N)n1)CC2 ZINC001164787867 721458970 /nfs/dbraw/zinc/45/89/70/721458970.db2.gz SRVGZIJWZLEYBM-FQEVSTJZSA-N 1 1 398.551 2.996 20 30 GFEDMO COc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(F)cc1C#N ZINC001164909703 721550877 /nfs/dbraw/zinc/55/08/77/721550877.db2.gz UPLBPRSMANDYJC-WBVHZDCISA-N 1 1 386.402 2.582 20 30 GFEDMO Cc1ncc(C#N)c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904869 721697773 /nfs/dbraw/zinc/69/77/73/721697773.db2.gz HDDDHDNLXCWKLM-IBGZPJMESA-N 1 1 384.434 2.789 20 30 GFEDMO Cc1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1C#N ZINC001164964253 722055786 /nfs/dbraw/zinc/05/57/86/722055786.db2.gz UAIJADXLVGPAGR-UHFFFAOYSA-N 1 1 377.492 2.776 20 30 GFEDMO N#Cc1c[nH]c2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc12 ZINC001164978445 722124428 /nfs/dbraw/zinc/12/44/28/722124428.db2.gz OQRDYBJUPPSGDE-FXAWDEMLSA-N 1 1 388.475 2.557 20 30 GFEDMO CCc1nn(Cc2cn3cc(Br)ccc3[nH+]2)c(=O)c(C#N)c1CC ZINC000110148335 551202489 /nfs/dbraw/zinc/20/24/89/551202489.db2.gz IZWNHUTWVIYELO-UHFFFAOYSA-N 1 1 386.253 2.698 20 30 GFEDMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000175396994 552120686 /nfs/dbraw/zinc/12/06/86/552120686.db2.gz ZMGMPHAAMGLWGZ-AWEZNQCLSA-N 1 1 375.416 2.682 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000175788992 552129191 /nfs/dbraw/zinc/12/91/91/552129191.db2.gz VWUBQNFFNOZNIM-OAHLLOKOSA-N 1 1 384.977 2.983 20 30 GFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c(Br)c1 ZINC000181108015 552247164 /nfs/dbraw/zinc/24/71/64/552247164.db2.gz BIDBTICCHXPWNS-INIZCTEOSA-N 1 1 378.314 2.865 20 30 GFEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c(Br)c1 ZINC000181108015 552247167 /nfs/dbraw/zinc/24/71/67/552247167.db2.gz BIDBTICCHXPWNS-INIZCTEOSA-N 1 1 378.314 2.865 20 30 GFEDMO CSCC[C@@H](C)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245924490 553099761 /nfs/dbraw/zinc/09/97/61/553099761.db2.gz YQUJEXJAMCRLSQ-HZPDHXFCSA-N 1 1 380.583 2.530 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000248558419 553131130 /nfs/dbraw/zinc/13/11/30/553131130.db2.gz MABKRHTZRJWVEY-WMLDXEAASA-N 1 1 379.913 2.849 20 30 GFEDMO C[N@@H+]1CC[C@@H](CNS(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248653085 553132375 /nfs/dbraw/zinc/13/23/75/553132375.db2.gz ULHZEUQADFRFQC-XJKSGUPXSA-N 1 1 385.892 2.695 20 30 GFEDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248653085 553132378 /nfs/dbraw/zinc/13/23/78/553132378.db2.gz ULHZEUQADFRFQC-XJKSGUPXSA-N 1 1 385.892 2.695 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000296816017 563302942 /nfs/dbraw/zinc/30/29/42/563302942.db2.gz IYKMKDNJNSOQML-INIZCTEOSA-N 1 1 379.302 2.550 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C(=O)NC)C2)cc1OCC ZINC000421371367 563308445 /nfs/dbraw/zinc/30/84/45/563308445.db2.gz CMZGTXLJWJIQPL-AWEZNQCLSA-N 1 1 397.313 2.981 20 30 GFEDMO N#Cc1ncn(C2CC[NH+](Cc3nc4cc(Br)ccc4o3)CC2)n1 ZINC000375686797 563414150 /nfs/dbraw/zinc/41/41/50/563414150.db2.gz BMGCPIUINFIFIY-UHFFFAOYSA-N 1 1 387.241 2.891 20 30 GFEDMO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCOc2ccc(Br)cc21 ZINC000330169141 563497645 /nfs/dbraw/zinc/49/76/45/563497645.db2.gz BGAJJTARWIPLGA-TZMCWYRMSA-N 1 1 391.269 2.988 20 30 GFEDMO C[NH+]1CCN(C(=O)CCNC(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000330406282 563504227 /nfs/dbraw/zinc/50/42/27/563504227.db2.gz FMHXMCZJVVLKAL-UHFFFAOYSA-N 1 1 388.693 2.571 20 30 GFEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)[C@H](C)C1 ZINC000331193221 563539256 /nfs/dbraw/zinc/53/92/56/563539256.db2.gz RWGHUDRLUOGMKP-GHMZBOCLSA-N 1 1 377.819 2.874 20 30 GFEDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1csc(I)c1 ZINC000331339530 563546434 /nfs/dbraw/zinc/54/64/34/563546434.db2.gz RWSICDVEBYLBFV-NSHDSACASA-N 1 1 394.278 2.504 20 30 GFEDMO C[C@@H](CCC#N)[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000411323397 563614860 /nfs/dbraw/zinc/61/48/60/563614860.db2.gz JMYLYUWPOMLTTF-AWEZNQCLSA-N 1 1 379.302 2.697 20 30 GFEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCSC[C@@H]2CCO)sc2c1CCCC2 ZINC000333418175 563631321 /nfs/dbraw/zinc/63/13/21/563631321.db2.gz HPRIDLQOZMUMEP-ZDUSSCGKSA-N 1 1 379.551 2.627 20 30 GFEDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000289902553 563690705 /nfs/dbraw/zinc/69/07/05/563690705.db2.gz PTXVEUCCFVLQBI-CQSZACIVSA-N 1 1 375.416 2.682 20 30 GFEDMO Cc1csc(C2([NH2+]CCS(=O)(=O)c3ccc(C#N)cn3)CCCC2)n1 ZINC000290072512 563697207 /nfs/dbraw/zinc/69/72/07/563697207.db2.gz WBLSUULTFFNSIY-UHFFFAOYSA-N 1 1 376.507 2.551 20 30 GFEDMO CN1C(=O)CSC12CC[NH+](Cc1ccc(C#N)cc1Br)CC2 ZINC000363821871 563734040 /nfs/dbraw/zinc/73/40/40/563734040.db2.gz OLTQNSXFGDBCFO-UHFFFAOYSA-N 1 1 380.311 2.818 20 30 GFEDMO C[NH+](C)CCN(Cc1ccc(S(C)(=O)=O)s1)Cc1ccc(C#N)cc1 ZINC000414433849 563737652 /nfs/dbraw/zinc/73/76/52/563737652.db2.gz CEJXDFSFSQGLMG-UHFFFAOYSA-N 1 1 377.535 2.587 20 30 GFEDMO N#Cc1c(Cl)cccc1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000443090521 563790826 /nfs/dbraw/zinc/79/08/26/563790826.db2.gz GENZCZIXMNERIV-UHFFFAOYSA-N 1 1 399.969 2.852 20 30 GFEDMO C[N@H+]1CCC[C@@H](CCNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000416554666 563847876 /nfs/dbraw/zinc/84/78/76/563847876.db2.gz JYDONQCRXSTQHE-LBPRGKRZSA-N 1 1 375.416 2.587 20 30 GFEDMO C[N@H+]1CCC[C@H](N2CCN(Cc3ccc(C#N)cc3Br)CC2)C1 ZINC000368401964 563870038 /nfs/dbraw/zinc/87/00/38/563870038.db2.gz HWXGCGFRKDSKPK-KRWDZBQOSA-N 1 1 377.330 2.533 20 30 GFEDMO CN(CCC#N)C(=O)CC[N@@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000368924259 563881987 /nfs/dbraw/zinc/88/19/87/563881987.db2.gz JHHODDCBTREXTI-HNNXBMFYSA-N 1 1 380.286 2.967 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000563764173 564205907 /nfs/dbraw/zinc/20/59/07/564205907.db2.gz DEXMYPQSLQIFGY-QGZVFWFLSA-N 1 1 381.860 2.932 20 30 GFEDMO C[N@@H+](CCNC(=O)COc1ccc(C#N)c(Br)c1)C1CCCC1 ZINC000449845853 564205967 /nfs/dbraw/zinc/20/59/67/564205967.db2.gz SUDBTYZZBYONML-UHFFFAOYSA-N 1 1 380.286 2.690 20 30 GFEDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)COc1cccc(Br)c1C#N ZINC000450028096 564213343 /nfs/dbraw/zinc/21/33/43/564213343.db2.gz ZWRCBLXGFRKKNT-CYBMUJFWSA-N 1 1 380.286 2.642 20 30 GFEDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450053906 564215590 /nfs/dbraw/zinc/21/55/90/564215590.db2.gz UKEZMIKZMZAFRU-CABCVRRESA-N 1 1 392.297 2.785 20 30 GFEDMO CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000452109832 564393796 /nfs/dbraw/zinc/39/37/96/564393796.db2.gz ZNSNGYXXUTWUKS-CQSZACIVSA-N 1 1 375.416 2.680 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000459657693 564754622 /nfs/dbraw/zinc/75/46/22/564754622.db2.gz IJSFUNPRZZTVKK-CYBMUJFWSA-N 1 1 398.301 2.544 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000459657693 564754623 /nfs/dbraw/zinc/75/46/23/564754623.db2.gz IJSFUNPRZZTVKK-CYBMUJFWSA-N 1 1 398.301 2.544 20 30 GFEDMO C=CCN1CC[C@H]([NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)C1=O ZINC000499601832 564931846 /nfs/dbraw/zinc/93/18/46/564931846.db2.gz FTQDRRIJEVLZBJ-FZMZJTMJSA-N 1 1 381.270 2.658 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470029676 565035492 /nfs/dbraw/zinc/03/54/92/565035492.db2.gz GCIPMRGHKZJZLV-DGCLKSJQSA-N 1 1 386.279 2.847 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470029676 565035493 /nfs/dbraw/zinc/03/54/93/565035493.db2.gz GCIPMRGHKZJZLV-DGCLKSJQSA-N 1 1 386.279 2.847 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594788141 565420484 /nfs/dbraw/zinc/42/04/84/565420484.db2.gz FQLSGOMKVZPPQK-GFCCVEGCSA-N 1 1 375.416 2.728 20 30 GFEDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000597605128 565567218 /nfs/dbraw/zinc/56/72/18/565567218.db2.gz MXFSXOPVMZPVNV-CQSZACIVSA-N 1 1 380.286 2.642 20 30 GFEDMO N#CC1(C[C@H](O)C[N@@H+]2CCc3c(Br)cccc3C2)CCOCC1 ZINC000599277134 565666701 /nfs/dbraw/zinc/66/67/01/565666701.db2.gz JONBJJQHCSWSNA-HNNXBMFYSA-N 1 1 379.298 2.879 20 30 GFEDMO N#CC1(C[C@H](O)C[N@H+]2CCc3c(Br)cccc3C2)CCOCC1 ZINC000599277134 565666704 /nfs/dbraw/zinc/66/67/04/565666704.db2.gz JONBJJQHCSWSNA-HNNXBMFYSA-N 1 1 379.298 2.879 20 30 GFEDMO C[NH+](C)C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000599627791 565693396 /nfs/dbraw/zinc/69/33/96/565693396.db2.gz OLCQRNGVNJZLTJ-AEFFLSMTSA-N 1 1 383.323 2.994 20 30 GFEDMO C=CCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000669805419 565703694 /nfs/dbraw/zinc/70/36/94/565703694.db2.gz OYZAFLKQYBSATR-CYBMUJFWSA-N 1 1 393.333 2.763 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1Cl ZINC000604031442 565922126 /nfs/dbraw/zinc/92/21/26/565922126.db2.gz CCVYZMCPRQUKGM-UHFFFAOYSA-N 1 1 399.969 2.852 20 30 GFEDMO N#Cc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1-c1nn[nH]n1 ZINC000737705233 598919089 /nfs/dbraw/zinc/91/90/89/598919089.db2.gz OVAJMQBTCJHKLC-MRXNPFEDSA-N 1 1 387.447 2.589 20 30 GFEDMO C#CC[N@H+](CC)Cc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000819701776 606073889 /nfs/dbraw/zinc/07/38/89/606073889.db2.gz MPHVFXDIUDHPHK-UHFFFAOYSA-N 1 1 377.448 2.909 20 30 GFEDMO N#Cc1cc(CN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccc1F ZINC000822819591 606963136 /nfs/dbraw/zinc/96/31/36/606963136.db2.gz XGEJSLSEZHXZRH-UHFFFAOYSA-N 1 1 391.454 2.585 20 30 GFEDMO N#Cc1cc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)ccc1F ZINC000822819533 606968718 /nfs/dbraw/zinc/96/87/18/606968718.db2.gz UTHZQRFFMNICKU-UHFFFAOYSA-N 1 1 378.411 2.921 20 30 GFEDMO N#Cc1cccc([C@H]2C[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)CCO2)c1 ZINC000826386651 608071168 /nfs/dbraw/zinc/07/11/68/608071168.db2.gz NEDRMFCKQCVUKW-LJQANCHMSA-N 1 1 385.431 2.565 20 30 GFEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)CCO2)c1 ZINC000826386651 608071169 /nfs/dbraw/zinc/07/11/69/608071169.db2.gz NEDRMFCKQCVUKW-LJQANCHMSA-N 1 1 385.431 2.565 20 30 GFEDMO C=CCOc1ccccc1CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823931981 608501529 /nfs/dbraw/zinc/50/15/29/608501529.db2.gz JRYFPDHEBRKNAG-UHFFFAOYSA-N 1 1 390.491 2.749 20 30 GFEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)CC2)cc1 ZINC000826384849 608509721 /nfs/dbraw/zinc/50/97/21/608509721.db2.gz LUQJMHGWOZQLNP-UHFFFAOYSA-N 1 1 379.493 2.508 20 30 GFEDMO COCC[N@@H+]1[C@H](C)CN(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@@H]1C ZINC000831793619 660727918 /nfs/dbraw/zinc/72/79/18/660727918.db2.gz WDWDTXTZORIAKZ-BETUJISGSA-N 1 1 395.301 2.894 20 30 GFEDMO C#C[C@H](NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000836519940 660913180 /nfs/dbraw/zinc/91/31/80/660913180.db2.gz OZJIVRHNXLTLNC-FUHWJXTLSA-N 1 1 376.298 2.861 20 30 GFEDMO C#CC[NH+]1CCN(Cn2c3cc(Cl)ccc3n(CCOC)c2=S)CC1 ZINC000124343781 654774716 /nfs/dbraw/zinc/77/47/16/654774716.db2.gz UVPANRCHUXXOKD-UHFFFAOYSA-N 1 1 378.929 2.680 20 30 GFEDMO C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000067244381 654934510 /nfs/dbraw/zinc/93/45/10/654934510.db2.gz BESLQISKUPKUBB-HNNXBMFYSA-N 1 1 375.881 2.893 20 30 GFEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000104079011 655078502 /nfs/dbraw/zinc/07/85/02/655078502.db2.gz QZQOECBJOWTELU-CYBMUJFWSA-N 1 1 398.326 2.930 20 30 GFEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000104079011 655078504 /nfs/dbraw/zinc/07/85/04/655078504.db2.gz QZQOECBJOWTELU-CYBMUJFWSA-N 1 1 398.326 2.930 20 30 GFEDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000111353320 655170537 /nfs/dbraw/zinc/17/05/37/655170537.db2.gz SADIEKMTNPTONR-ZDUSSCGKSA-N 1 1 375.416 2.730 20 30 GFEDMO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cc(Br)ccc1O ZINC000174423545 655202074 /nfs/dbraw/zinc/20/20/74/655202074.db2.gz WHRRZVNCHPVEEV-KRWDZBQOSA-N 1 1 380.286 2.785 20 30 GFEDMO N#CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114498426 655225150 /nfs/dbraw/zinc/22/51/50/655225150.db2.gz RMXPSODXGSWZBH-OAHLLOKOSA-N 1 1 375.416 2.503 20 30 GFEDMO N#CCCCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114498426 655225151 /nfs/dbraw/zinc/22/51/51/655225151.db2.gz RMXPSODXGSWZBH-OAHLLOKOSA-N 1 1 375.416 2.503 20 30 GFEDMO N#Cc1ccnc(N2CC[NH+](C[C@H](O)c3ccc(Br)cc3)CC2)c1 ZINC000264088599 655457169 /nfs/dbraw/zinc/45/71/69/655457169.db2.gz AXJYLZYKZASOJK-KRWDZBQOSA-N 1 1 387.281 2.571 20 30 GFEDMO C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733181153 655608933 /nfs/dbraw/zinc/60/89/33/655608933.db2.gz JXRDLXZBQDRWJZ-CZUORRHYSA-N 1 1 377.282 2.686 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CCOc1ccc(Br)cc1 ZINC000742112124 655710188 /nfs/dbraw/zinc/71/01/88/655710188.db2.gz XXPZDHCVAJXIJS-KRWDZBQOSA-N 1 1 379.298 2.774 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCOc1ccc(Br)cc1 ZINC000742112124 655710190 /nfs/dbraw/zinc/71/01/90/655710190.db2.gz XXPZDHCVAJXIJS-KRWDZBQOSA-N 1 1 379.298 2.774 20 30 GFEDMO C#CCC[NH+]1CCC(NC(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000743490530 655729581 /nfs/dbraw/zinc/72/95/81/655729581.db2.gz RGAZOGYQGVOLJQ-UHFFFAOYSA-N 1 1 375.270 2.543 20 30 GFEDMO C#CC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000843267647 661374927 /nfs/dbraw/zinc/37/49/27/661374927.db2.gz BWVWLCXRWJSKTC-BBRMVZONSA-N 1 1 375.266 2.816 20 30 GFEDMO O=C(CC(F)(F)C(F)(F)F)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000864996303 662394191 /nfs/dbraw/zinc/39/41/91/662394191.db2.gz DXNGFAXSSYNIQU-UHFFFAOYSA-N 1 1 386.283 2.687 20 30 GFEDMO COC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000879662103 662934997 /nfs/dbraw/zinc/93/49/97/662934997.db2.gz QNKXJSDKPPEXGO-DOTOQJQBSA-N 1 1 380.286 2.535 20 30 GFEDMO N#Cc1cccc(Br)c1N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000882987146 663046115 /nfs/dbraw/zinc/04/61/15/663046115.db2.gz UJRXDBHLJUNFMR-INIZCTEOSA-N 1 1 393.329 2.529 20 30 GFEDMO N#Cc1cccc(Br)c1N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000882987146 663046118 /nfs/dbraw/zinc/04/61/18/663046118.db2.gz UJRXDBHLJUNFMR-INIZCTEOSA-N 1 1 393.329 2.529 20 30 GFEDMO C#CCC1(O)CC[NH+](Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000895674810 663522729 /nfs/dbraw/zinc/52/27/29/663522729.db2.gz DQKJZRIHOCIQBW-UHFFFAOYSA-N 1 1 380.282 2.961 20 30 GFEDMO Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cc(C#N)ccc2Br)n[nH]1 ZINC000922408493 664600255 /nfs/dbraw/zinc/60/02/55/664600255.db2.gz ULLPCGAWYPUJHB-IUODEOHRSA-N 1 1 376.258 2.615 20 30 GFEDMO N#CC1(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CCSCC1 ZINC000935643480 664975816 /nfs/dbraw/zinc/97/58/16/664975816.db2.gz OQOQHBNUAMDBKV-KRWDZBQOSA-N 1 1 375.563 2.757 20 30 GFEDMO N#CC1(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CCSCC1 ZINC000935643480 664975818 /nfs/dbraw/zinc/97/58/18/664975818.db2.gz OQOQHBNUAMDBKV-KRWDZBQOSA-N 1 1 375.563 2.757 20 30 GFEDMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(C#N)c3cc(Cl)ccc3n1)CC2 ZINC001164689308 719752231 /nfs/dbraw/zinc/75/22/31/719752231.db2.gz AGAYLXFROBHINE-UHFFFAOYSA-N 1 1 397.910 2.941 20 30 GFEDMO N#Cc1ncc(Cl)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694936 719888792 /nfs/dbraw/zinc/88/87/92/719888792.db2.gz HURAECYZTTVIBU-UHFFFAOYSA-N 1 1 389.912 2.935 20 30 GFEDMO N#Cc1ncc(Cl)nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694936 719888793 /nfs/dbraw/zinc/88/87/93/719888793.db2.gz HURAECYZTTVIBU-UHFFFAOYSA-N 1 1 389.912 2.935 20 30 GFEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3c(cc1C#N)COCC3)[C@H]2C ZINC001164856741 721013475 /nfs/dbraw/zinc/01/34/75/721013475.db2.gz BPRPLLXSBAXJQZ-HNNXBMFYSA-N 1 1 380.496 2.644 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(C#N)c(Cl)cc4Cl)C[C@H]3C2)cn1 ZINC001164759769 721230856 /nfs/dbraw/zinc/23/08/56/721230856.db2.gz BPBOTAVWWCCIEO-UONOGXRCSA-N 1 1 391.306 2.952 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)cc(Cl)c4C#N)C[C@@H]3C2)cn1 ZINC001164765481 721234512 /nfs/dbraw/zinc/23/45/12/721234512.db2.gz RLPMVAQDZAEZSH-KGLIPLIRSA-N 1 1 391.306 2.952 20 30 GFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cc3C#N)C2)C1 ZINC001164778868 721336916 /nfs/dbraw/zinc/33/69/16/721336916.db2.gz ZMZVKKUZTWSZFD-QFIPXVFZSA-N 1 1 395.507 2.986 20 30 GFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cc3C#N)C2)C1 ZINC001164778868 721336922 /nfs/dbraw/zinc/33/69/22/721336922.db2.gz ZMZVKKUZTWSZFD-QFIPXVFZSA-N 1 1 395.507 2.986 20 30 GFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)cc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164794377 721523230 /nfs/dbraw/zinc/52/32/30/721523230.db2.gz CLRSTWWPVIJTNU-QKLQHJQFSA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)cc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164794377 721523232 /nfs/dbraw/zinc/52/32/32/721523232.db2.gz CLRSTWWPVIJTNU-QKLQHJQFSA-N 1 1 383.883 2.870 20 30 GFEDMO N#C[C@H](c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)nn1)c1ccccc1F ZINC001165040207 721912960 /nfs/dbraw/zinc/91/29/60/721912960.db2.gz ZRCWGTDPVNHWMS-AEFFLSMTSA-N 1 1 381.455 2.572 20 30 GFEDMO N#C[C@H](c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nn1)c1ccccc1F ZINC001165040210 721913003 /nfs/dbraw/zinc/91/30/03/721913003.db2.gz ZRCWGTDPVNHWMS-WMZOPIPTSA-N 1 1 381.455 2.572 20 30 GFEDMO Cc1ccnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1C#N ZINC001164961949 722052884 /nfs/dbraw/zinc/05/28/84/722052884.db2.gz ZQRYVBYAGFZHHQ-UHFFFAOYSA-N 1 1 377.492 2.776 20 30 GFEDMO N#CCc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164981107 722150191 /nfs/dbraw/zinc/15/01/91/722150191.db2.gz OLBVGLJKRLNNKS-QUCCMNQESA-N 1 1 397.910 2.923 20 30 GFEDMO Cc1c(O)ccc2c(C[N@H+]3CCCN(c4ncccc4C#N)CC3)cc(=O)oc12 ZINC000064633980 209190653 /nfs/dbraw/zinc/19/06/53/209190653.db2.gz CFAAEEMECQARQU-UHFFFAOYSA-N 1 1 390.443 2.786 20 30 GFEDMO C=CCCC[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000121104025 551227090 /nfs/dbraw/zinc/22/70/90/551227090.db2.gz RBSRTFUTQVJIKX-UHFFFAOYSA-N 1 1 387.933 2.817 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000121623365 551238074 /nfs/dbraw/zinc/23/80/74/551238074.db2.gz SCMWTFOOFOBMBV-KDOFPFPSSA-N 1 1 379.913 2.849 20 30 GFEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000121715451 551240855 /nfs/dbraw/zinc/24/08/55/551240855.db2.gz AXUQSQNZZAMLGN-CXAGYDPISA-N 1 1 379.913 2.849 20 30 GFEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000155135018 551492316 /nfs/dbraw/zinc/49/23/16/551492316.db2.gz ZBKGNFFOGWWJAU-ZDUSSCGKSA-N 1 1 387.933 2.815 20 30 GFEDMO N#Cc1ccccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000156928385 551530864 /nfs/dbraw/zinc/53/08/64/551530864.db2.gz CRRHTUVIFDUQMJ-HNNXBMFYSA-N 1 1 375.519 2.810 20 30 GFEDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000178946710 552180353 /nfs/dbraw/zinc/18/03/53/552180353.db2.gz QZPHCKYZHRHXCO-ROUUACIJSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000178946710 552180354 /nfs/dbraw/zinc/18/03/54/552180354.db2.gz QZPHCKYZHRHXCO-ROUUACIJSA-N 1 1 375.881 2.935 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)c1cccc(F)c1 ZINC000183405077 552308497 /nfs/dbraw/zinc/30/84/97/552308497.db2.gz BJOSMAGPZCPMFG-INIZCTEOSA-N 1 1 381.860 2.932 20 30 GFEDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1ccccc1 ZINC000245613120 553094276 /nfs/dbraw/zinc/09/42/76/553094276.db2.gz CFPCXJIJYZUEBU-ZWKOTPCHSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1ccccc1 ZINC000245613120 553094277 /nfs/dbraw/zinc/09/42/77/553094277.db2.gz CFPCXJIJYZUEBU-ZWKOTPCHSA-N 1 1 375.881 2.935 20 30 GFEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(N3C(=O)CCCC3=O)CC2)c1 ZINC000369595571 563219045 /nfs/dbraw/zinc/21/90/45/563219045.db2.gz DTNIBZJPQUQSIP-UHFFFAOYSA-N 1 1 390.281 2.824 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000281913683 563389698 /nfs/dbraw/zinc/38/96/98/563389698.db2.gz PCAHMUMJIUGHTP-UHFFFAOYSA-N 1 1 377.279 2.517 20 30 GFEDMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000424992229 563399851 /nfs/dbraw/zinc/39/98/51/563399851.db2.gz RILQTBXJSDOXEQ-UHFFFAOYSA-N 1 1 380.286 2.504 20 30 GFEDMO O=C(CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1cccc(Br)c1 ZINC000330096937 563495617 /nfs/dbraw/zinc/49/56/17/563495617.db2.gz AEFQQQLJDJDSFC-LBPRGKRZSA-N 1 1 381.230 2.504 20 30 GFEDMO CC[C@H]1CN(C(=O)Nc2nc(C(F)(F)F)cs2)C[C@@H]1[NH+]1CCOCC1 ZINC000330182080 563497823 /nfs/dbraw/zinc/49/78/23/563497823.db2.gz HAYGUHQBHVGACK-QWRGUYRKSA-N 1 1 378.420 2.750 20 30 GFEDMO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000330370142 563502884 /nfs/dbraw/zinc/50/28/84/563502884.db2.gz DOYUVRONYYLFEJ-CYBMUJFWSA-N 1 1 375.416 2.728 20 30 GFEDMO CC[N@@H+](CCNC(=O)N1CCN(c2ccc(Br)cn2)CC1)C(C)C ZINC000330433638 563505446 /nfs/dbraw/zinc/50/54/46/563505446.db2.gz PDVCYCDUFHVWOT-UHFFFAOYSA-N 1 1 398.349 2.610 20 30 GFEDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000379703506 563514391 /nfs/dbraw/zinc/51/43/91/563514391.db2.gz DYSASHXXSRJHSF-GDBMZVCRSA-N 1 1 375.519 2.951 20 30 GFEDMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1ccc(Br)cn1 ZINC000331061968 563533136 /nfs/dbraw/zinc/53/31/36/563533136.db2.gz ONRYVRNEONRVPI-OLZOCXBDSA-N 1 1 399.333 2.596 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433292596 563608205 /nfs/dbraw/zinc/60/82/05/563608205.db2.gz XZXQKGNOKOIXDX-UKRRQHHQSA-N 1 1 394.313 2.714 20 30 GFEDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000288074972 563628430 /nfs/dbraw/zinc/62/84/30/563628430.db2.gz JOYMWGRSOJRZOC-UHFFFAOYSA-N 1 1 397.298 2.584 20 30 GFEDMO N#Cc1c(NC(=O)CC[N@H+](CCO)[C@@H]2CCCSC2)sc2c1CCC2 ZINC000411669810 563629065 /nfs/dbraw/zinc/62/90/65/563629065.db2.gz QRNZLHNJIGVHBP-CYBMUJFWSA-N 1 1 379.551 2.627 20 30 GFEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)COc2cccc(Br)c2C#N)C1 ZINC000333568360 563636202 /nfs/dbraw/zinc/63/62/02/563636202.db2.gz PHWLDDLALUHXQE-CZUORRHYSA-N 1 1 392.297 2.642 20 30 GFEDMO COC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000288693642 563653945 /nfs/dbraw/zinc/65/39/45/563653945.db2.gz DGUZIOUYKLVIDW-SFHVURJKSA-N 1 1 378.881 2.963 20 30 GFEDMO COC(=O)CC[N@@H+]1CCN(c2cc(Br)c(C#N)cc2F)[C@H](C)C1 ZINC000563426155 564190389 /nfs/dbraw/zinc/19/03/89/564190389.db2.gz GTWPOWLPSUUMKR-LLVKDONJSA-N 1 1 384.249 2.533 20 30 GFEDMO COC(=O)CC[N@H+]1CCN(c2cc(Br)c(C#N)cc2F)[C@H](C)C1 ZINC000563426155 564190390 /nfs/dbraw/zinc/19/03/90/564190390.db2.gz GTWPOWLPSUUMKR-LLVKDONJSA-N 1 1 384.249 2.533 20 30 GFEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449636205 564193258 /nfs/dbraw/zinc/19/32/58/564193258.db2.gz ZMOSUZLLUZUBTQ-CYBMUJFWSA-N 1 1 380.286 2.548 20 30 GFEDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449794758 564202031 /nfs/dbraw/zinc/20/20/31/564202031.db2.gz KNZMOUJFWPSQDQ-LBPRGKRZSA-N 1 1 391.269 2.657 20 30 GFEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)[C@H](C)C1 ZINC000449987563 564212763 /nfs/dbraw/zinc/21/27/63/564212763.db2.gz QRPOREPEYGQNCU-CXAGYDPISA-N 1 1 394.313 2.888 20 30 GFEDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)COc1cccc(Br)c1C#N ZINC000450054613 564215532 /nfs/dbraw/zinc/21/55/32/564215532.db2.gz YLDMOQDATMDHDO-ZIAGYGMSSA-N 1 1 392.297 2.785 20 30 GFEDMO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000509422894 564298270 /nfs/dbraw/zinc/29/82/70/564298270.db2.gz DRGLYHDCFWLSKA-RHSMWYFYSA-N 1 1 384.933 2.545 20 30 GFEDMO CN(C1CC[NH+](CCC(F)(F)F)CC1)S(=O)(=O)c1cccc(C#N)c1 ZINC000452093379 564390828 /nfs/dbraw/zinc/39/08/28/564390828.db2.gz GRMOMDKPOKCFIV-UHFFFAOYSA-N 1 1 375.416 2.596 20 30 GFEDMO CN(C1CC[NH+](CCC(F)(F)F)CC1)S(=O)(=O)c1ccc(C#N)s1 ZINC000452094962 564391103 /nfs/dbraw/zinc/39/11/03/564391103.db2.gz JVBJHCNUBYFBSF-UHFFFAOYSA-N 1 1 381.445 2.657 20 30 GFEDMO N#Cc1ccc(CS(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)cc1 ZINC000571298517 564544360 /nfs/dbraw/zinc/54/43/60/564544360.db2.gz DZXDRNXCILVYOA-SFHVURJKSA-N 1 1 375.881 2.688 20 30 GFEDMO CCN(CCC#N)C(=O)C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483273655 564562647 /nfs/dbraw/zinc/56/26/47/564562647.db2.gz UAAGZGOHMZSXLE-CQSZACIVSA-N 1 1 377.794 2.744 20 30 GFEDMO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000486614819 564658387 /nfs/dbraw/zinc/65/83/87/564658387.db2.gz ALYCXKKCXDIEHF-HNNXBMFYSA-N 1 1 375.416 2.538 20 30 GFEDMO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000486614819 564658389 /nfs/dbraw/zinc/65/83/89/564658389.db2.gz ALYCXKKCXDIEHF-HNNXBMFYSA-N 1 1 375.416 2.538 20 30 GFEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)CCn1cc(Br)cn1 ZINC000554748757 564772640 /nfs/dbraw/zinc/77/26/40/564772640.db2.gz FTJWVZPXPJCSGB-QGZVFWFLSA-N 1 1 394.313 2.746 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000498855805 564910693 /nfs/dbraw/zinc/91/06/93/564910693.db2.gz OWMZRNGNUNCGQZ-UHFFFAOYSA-N 1 1 381.929 2.684 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)c(Cl)c1 ZINC000503475434 565020793 /nfs/dbraw/zinc/02/07/93/565020793.db2.gz ZJRMJRAHUHHUAM-UHFFFAOYSA-N 1 1 399.969 2.852 20 30 GFEDMO CC1(C)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@]1=O ZINC000562737928 565041495 /nfs/dbraw/zinc/04/14/95/565041495.db2.gz XPELAKAWUGKHIF-RUZDIDTESA-N 1 1 379.551 2.670 20 30 GFEDMO CC1(C)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@]1=O ZINC000562737928 565041500 /nfs/dbraw/zinc/04/15/00/565041500.db2.gz XPELAKAWUGKHIF-RUZDIDTESA-N 1 1 379.551 2.670 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640053844 565277731 /nfs/dbraw/zinc/27/77/31/565277731.db2.gz JBVGZUHDDCRBPD-VNHYZAJKSA-N 1 1 376.444 2.754 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640053844 565277733 /nfs/dbraw/zinc/27/77/33/565277733.db2.gz JBVGZUHDDCRBPD-VNHYZAJKSA-N 1 1 376.444 2.754 20 30 GFEDMO Cc1ccc2c(ncc(C#N)c2N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1Br ZINC000619485437 565343310 /nfs/dbraw/zinc/34/33/10/565343310.db2.gz UOAADYTUWUSCTJ-CABCVRRESA-N 1 1 387.281 2.697 20 30 GFEDMO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000594607545 565403561 /nfs/dbraw/zinc/40/35/61/565403561.db2.gz XEKATNUQEQPGLN-KRWDZBQOSA-N 1 1 375.270 2.794 20 30 GFEDMO Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000594607545 565403564 /nfs/dbraw/zinc/40/35/64/565403564.db2.gz XEKATNUQEQPGLN-KRWDZBQOSA-N 1 1 375.270 2.794 20 30 GFEDMO C=CCCCN(C)C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595949691 565500844 /nfs/dbraw/zinc/50/08/44/565500844.db2.gz ZVQBUGZOVFTADE-UHFFFAOYSA-N 1 1 376.263 2.994 20 30 GFEDMO CCN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CC[N@@H+](CC)C1 ZINC000598039807 565589235 /nfs/dbraw/zinc/58/92/35/565589235.db2.gz NKAAYNZWYRHFCZ-ZDUSSCGKSA-N 1 1 380.286 2.642 20 30 GFEDMO C[N@H+]1CCCC[C@@H](CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000599416730 565677118 /nfs/dbraw/zinc/67/71/18/565677118.db2.gz XJCSONZKMKMAQM-LBPRGKRZSA-N 1 1 375.416 2.587 20 30 GFEDMO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000669807458 565703759 /nfs/dbraw/zinc/70/37/59/565703759.db2.gz XTRXUSBEJKOBLU-GFCCVEGCSA-N 1 1 379.306 2.752 20 30 GFEDMO CC1(C)C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCN1Cc1ccccc1C#N ZINC000820601943 606087706 /nfs/dbraw/zinc/08/77/06/606087706.db2.gz VPDGQOQOTFFJEJ-UHFFFAOYSA-N 1 1 387.491 2.835 20 30 GFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823878445 608460909 /nfs/dbraw/zinc/46/09/09/608460909.db2.gz ZIUOPXJOYFFIET-INIZCTEOSA-N 1 1 380.496 2.769 20 30 GFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823878445 608460910 /nfs/dbraw/zinc/46/09/10/608460910.db2.gz ZIUOPXJOYFFIET-INIZCTEOSA-N 1 1 380.496 2.769 20 30 GFEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc2c(c(OC)c1)OCO2 ZINC000823914932 608632087 /nfs/dbraw/zinc/63/20/87/608632087.db2.gz PFFKITCDWZVPBR-UHFFFAOYSA-N 1 1 379.420 2.792 20 30 GFEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1N1CCOCC1 ZINC000823915344 608632136 /nfs/dbraw/zinc/63/21/36/608632136.db2.gz VQVVYYVNHPHESF-UHFFFAOYSA-N 1 1 390.491 2.892 20 30 GFEDMO C=CC[N@H+](Cc1cn(C)nc1-c1cccnc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823915511 608633287 /nfs/dbraw/zinc/63/32/87/608633287.db2.gz YWVHQADTNOJWGD-UHFFFAOYSA-N 1 1 386.463 2.850 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)N(C)Cc1cc(OC)ccc1Br ZINC000836490291 660910436 /nfs/dbraw/zinc/91/04/36/660910436.db2.gz SCWJTLZOMKNGFS-UHFFFAOYSA-N 1 1 382.302 2.554 20 30 GFEDMO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000127378165 654828203 /nfs/dbraw/zinc/82/82/03/654828203.db2.gz PMCCEXBKQAIDLF-UHFFFAOYSA-N 1 1 375.885 2.819 20 30 GFEDMO N#Cc1csc(C[NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000129798078 654873911 /nfs/dbraw/zinc/87/39/11/654873911.db2.gz QBVBDEMVLDFKKL-UHFFFAOYSA-N 1 1 379.482 2.702 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000838623777 661051330 /nfs/dbraw/zinc/05/13/30/661051330.db2.gz MHTBNIDWKBAPFK-MRXNPFEDSA-N 1 1 394.313 2.869 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+](CC(N)=O)CC(C)C)cc1OC ZINC000092011599 655011106 /nfs/dbraw/zinc/01/11/06/655011106.db2.gz UHNOZOCEACYBNP-UHFFFAOYSA-N 1 1 385.302 2.966 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000264320381 655460791 /nfs/dbraw/zinc/46/07/91/655460791.db2.gz APIDXZSLTUTCNH-UHFFFAOYSA-N 1 1 378.416 2.556 20 30 GFEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000577963664 655470452 /nfs/dbraw/zinc/47/04/52/655470452.db2.gz JSWOJRJXWXSBRI-INIZCTEOSA-N 1 1 375.519 2.557 20 30 GFEDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000579194792 655495806 /nfs/dbraw/zinc/49/58/06/655495806.db2.gz YJZIUDJSDQOMJV-ZDUSSCGKSA-N 1 1 380.286 2.546 20 30 GFEDMO C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733181151 655608883 /nfs/dbraw/zinc/60/88/83/655608883.db2.gz JXRDLXZBQDRWJZ-CJNGLKHVSA-N 1 1 377.282 2.686 20 30 GFEDMO C[C@H]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)c2ccsc2S1 ZINC000743424516 655728874 /nfs/dbraw/zinc/72/88/74/655728874.db2.gz MHGBXZMZWCPWFV-LBPRGKRZSA-N 1 1 384.596 2.523 20 30 GFEDMO C[C@@H]1C[NH+]=C(NN=Cc2cc(Br)ccc2OCc2ccccn2)N1 ZINC000779804298 656944271 /nfs/dbraw/zinc/94/42/71/656944271.db2.gz CQMDBSNRWKHDON-GFCCVEGCSA-N 1 1 388.269 2.694 20 30 GFEDMO C#Cc1ccc(C[NH+]2CCN(c3ncc(Br)c(OC)n3)CC2)cc1 ZINC000809567960 659932171 /nfs/dbraw/zinc/93/21/71/659932171.db2.gz SHYRBNBDXPBLMD-UHFFFAOYSA-N 1 1 387.281 2.551 20 30 GFEDMO C=C(Cl)C[C@H]1NC(=O)N(C[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1=O ZINC000865306887 662411872 /nfs/dbraw/zinc/41/18/72/662411872.db2.gz KAWZXHVVRFXADQ-HZPDHXFCSA-N 1 1 379.913 2.667 20 30 GFEDMO COC[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1cccc(Br)c1 ZINC000871924413 662742385 /nfs/dbraw/zinc/74/23/85/662742385.db2.gz JAHUGZCGYQIIFM-SWLSCSKDSA-N 1 1 380.286 2.677 20 30 GFEDMO COC(=O)c1nn(C[N@H+](C)CCc2cccc(C#N)c2)c(C)c1Br ZINC000872706139 662786204 /nfs/dbraw/zinc/78/62/04/662786204.db2.gz UVOPPBIIQPSYRO-UHFFFAOYSA-N 1 1 391.269 2.744 20 30 GFEDMO COC(=O)c1nn(C[N@@H+](C)CCc2cccc(C#N)c2)c(C)c1Br ZINC000872706139 662786208 /nfs/dbraw/zinc/78/62/08/662786208.db2.gz UVOPPBIIQPSYRO-UHFFFAOYSA-N 1 1 391.269 2.744 20 30 GFEDMO C#CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000880481060 662960652 /nfs/dbraw/zinc/96/06/52/662960652.db2.gz DVONIHLHLFFEFR-AWEZNQCLSA-N 1 1 379.298 2.935 20 30 GFEDMO CN(C(=O)Nc1ccc(Br)c(C#N)n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000883109613 663049541 /nfs/dbraw/zinc/04/95/41/663049541.db2.gz XNSMBEVQUJAOMJ-FOSCPWQOSA-N 1 1 378.274 2.805 20 30 GFEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CCC1 ZINC000886274270 663106606 /nfs/dbraw/zinc/10/66/06/663106606.db2.gz PTTHDNWODKYMON-HUUCEWRRSA-N 1 1 380.286 2.742 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886803626 663119327 /nfs/dbraw/zinc/11/93/27/663119327.db2.gz LLKRODCZMGXTTF-CZUORRHYSA-N 1 1 376.444 2.898 20 30 GFEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886803626 663119329 /nfs/dbraw/zinc/11/93/29/663119329.db2.gz LLKRODCZMGXTTF-CZUORRHYSA-N 1 1 376.444 2.898 20 30 GFEDMO Cn1cc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(I)n1 ZINC000894588660 663470363 /nfs/dbraw/zinc/47/03/63/663470363.db2.gz AKAAQEBGEBDSIO-CQSZACIVSA-N 1 1 378.217 2.673 20 30 GFEDMO O=C1[C@H]([NH2+]Cc2cc(Br)c(Br)s2)CCCN1O ZINC000895158411 663501379 /nfs/dbraw/zinc/50/13/79/663501379.db2.gz ZWVZHLDLYQCGQI-MRVPVSSYSA-N 1 1 384.093 2.743 20 30 GFEDMO C=CCCC[N@@H+](CC)CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000934652415 664913816 /nfs/dbraw/zinc/91/38/16/664913816.db2.gz ZUZUVJONLHVWCE-INIZCTEOSA-N 1 1 384.567 2.552 20 30 GFEDMO C=CCCC[N@H+](CC)CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000934652415 664913817 /nfs/dbraw/zinc/91/38/17/664913817.db2.gz ZUZUVJONLHVWCE-INIZCTEOSA-N 1 1 384.567 2.552 20 30 GFEDMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C ZINC001043571890 665076305 /nfs/dbraw/zinc/07/63/05/665076305.db2.gz QBRFCANWECATFX-YVECIDJPSA-N 1 1 381.933 2.657 20 30 GFEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2nc(Cl)c(C#N)s2)CC[N@H+]1C ZINC001046125857 665076852 /nfs/dbraw/zinc/07/68/52/665076852.db2.gz XGCFHTYLAORRNU-FDYHWXHSSA-N 1 1 381.933 2.848 20 30 GFEDMO N#Cc1nc(Cl)cnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694553 719888026 /nfs/dbraw/zinc/88/80/26/719888026.db2.gz ADCOGMUQEKHLGR-UHFFFAOYSA-N 1 1 389.912 2.935 20 30 GFEDMO N#Cc1nc(Cl)cnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694553 719888027 /nfs/dbraw/zinc/88/80/27/719888027.db2.gz ADCOGMUQEKHLGR-UHFFFAOYSA-N 1 1 389.912 2.935 20 30 GFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(F)cc1C#N)CC2 ZINC001164711686 720103530 /nfs/dbraw/zinc/10/35/30/720103530.db2.gz SOBFWJRITXCTFQ-FQEVSTJZSA-N 1 1 395.482 2.995 20 30 GFEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nnc(Cl)cc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836556 720522285 /nfs/dbraw/zinc/52/22/85/720522285.db2.gz NESOPJIHLVLARZ-IXDOHACOSA-N 1 1 385.903 2.576 20 30 GFEDMO CCCc1cc(C#N)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl ZINC001164740447 720715880 /nfs/dbraw/zinc/71/58/80/720715880.db2.gz QLNZOVJKWOCAKX-IAGOWNOFSA-N 1 1 398.898 2.691 20 30 GFEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3c(cc1C#N)COCC3)[C@@H]2C ZINC001164856745 721013328 /nfs/dbraw/zinc/01/33/28/721013328.db2.gz BPRPLLXSBAXJQZ-OAHLLOKOSA-N 1 1 380.496 2.644 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc5c(c4C#N)CCCC5)C[C@@H]3C2)cn1 ZINC001164766759 721242970 /nfs/dbraw/zinc/24/29/70/721242970.db2.gz VIYWWRPITILFFT-OALUTQOASA-N 1 1 376.508 2.524 20 30 GFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001164778818 721330405 /nfs/dbraw/zinc/33/04/05/721330405.db2.gz YOSWHFQBHHYBEN-NRFANRHFSA-N 1 1 381.480 2.677 20 30 GFEDMO N#Cc1ccc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164898848 721519669 /nfs/dbraw/zinc/51/96/69/721519669.db2.gz JQASWXJVWLORKF-HKUYNNGSSA-N 1 1 389.434 2.982 20 30 GFEDMO N#Cc1ccc2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164899027 721519773 /nfs/dbraw/zinc/51/97/73/721519773.db2.gz JQASWXJVWLORKF-PKOBYXMFSA-N 1 1 389.434 2.982 20 30 GFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)cc(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164794376 721523632 /nfs/dbraw/zinc/52/36/32/721523632.db2.gz CLRSTWWPVIJTNU-MBOZVWFJSA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)cc(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164794376 721523636 /nfs/dbraw/zinc/52/36/36/721523636.db2.gz CLRSTWWPVIJTNU-MBOZVWFJSA-N 1 1 383.883 2.870 20 30 GFEDMO N#Cc1cc2nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)ccc2[nH]1 ZINC001164910409 721550944 /nfs/dbraw/zinc/55/09/44/721550944.db2.gz WSCDTNCANWNRHZ-AEFFLSMTSA-N 1 1 377.423 2.916 20 30 GFEDMO Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(C#N)n1 ZINC001164908534 721720180 /nfs/dbraw/zinc/72/01/80/721720180.db2.gz XQQCMYCYTZQIAR-LJQANCHMSA-N 1 1 384.434 2.789 20 30 GFEDMO N#Cc1ccnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1F ZINC001164964051 722055619 /nfs/dbraw/zinc/05/56/19/722055619.db2.gz RDBUKRWDRZTVEV-UHFFFAOYSA-N 1 1 381.455 2.606 20 30 GFEDMO N#Cc1c[nH]c2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ccc12 ZINC001164978456 722124405 /nfs/dbraw/zinc/12/44/05/722124405.db2.gz OQRDYBJUPPSGDE-XLIONFOSSA-N 1 1 388.475 2.557 20 30 GFEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000121097398 551227326 /nfs/dbraw/zinc/22/73/26/551227326.db2.gz GGKPOZCPRMLTKQ-ZDUSSCGKSA-N 1 1 387.933 2.815 20 30 GFEDMO C=CC[N@@H+](CCCN1C(=O)CNC1=O)Cc1cc(Br)ccc1F ZINC000159552882 551566779 /nfs/dbraw/zinc/56/67/79/551566779.db2.gz XWMRFCLJVUANRO-UHFFFAOYSA-N 1 1 384.249 2.518 20 30 GFEDMO C=CC[N@H+](CCCN1C(=O)CNC1=O)Cc1cc(Br)ccc1F ZINC000159552882 551566781 /nfs/dbraw/zinc/56/67/81/551566781.db2.gz XWMRFCLJVUANRO-UHFFFAOYSA-N 1 1 384.249 2.518 20 30 GFEDMO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000183882544 552321424 /nfs/dbraw/zinc/32/14/24/552321424.db2.gz NYXRXCVHUBDFCK-ZDUSSCGKSA-N 1 1 380.267 2.644 20 30 GFEDMO COC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000193677774 552999969 /nfs/dbraw/zinc/99/99/69/552999969.db2.gz HKBMAUFGKMULCG-GOSISDBHSA-N 1 1 378.881 2.963 20 30 GFEDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000246041842 553101450 /nfs/dbraw/zinc/10/14/50/553101450.db2.gz BGONOIQETCNLNF-SMDDNHRTSA-N 1 1 375.416 2.538 20 30 GFEDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccccc2C#N)[C@H]1c1cccs1 ZINC000246075716 553102405 /nfs/dbraw/zinc/10/24/05/553102405.db2.gz FPCKKYYSIUTRNM-YJBOKZPZSA-N 1 1 375.519 2.981 20 30 GFEDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2c2ncc(Br)cc2C#N)C[C@H](C)O1 ZINC000295111184 563229771 /nfs/dbraw/zinc/22/97/71/563229771.db2.gz VMAHXTYFIZCPTM-DVOMOZLQSA-N 1 1 379.302 2.794 20 30 GFEDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2c2ncc(Br)cc2C#N)C[C@H](C)O1 ZINC000295111184 563229772 /nfs/dbraw/zinc/22/97/72/563229772.db2.gz VMAHXTYFIZCPTM-DVOMOZLQSA-N 1 1 379.302 2.794 20 30 GFEDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(Br)cc2C#N)CCCO1 ZINC000295235132 563237483 /nfs/dbraw/zinc/23/74/83/563237483.db2.gz ZOYBANJSFDPKFC-CYBMUJFWSA-N 1 1 380.286 2.551 20 30 GFEDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc(C#N)o2)[C@H]1c1cccc(Cl)c1 ZINC000376273839 563435838 /nfs/dbraw/zinc/43/58/38/563435838.db2.gz MILCHHUKJNUZNA-CXAGYDPISA-N 1 1 379.869 2.776 20 30 GFEDMO CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000328860109 563467047 /nfs/dbraw/zinc/46/70/47/563467047.db2.gz AGPWRDDANDDQBU-AWEZNQCLSA-N 1 1 385.555 2.712 20 30 GFEDMO CC[N@H+]1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000328860109 563467049 /nfs/dbraw/zinc/46/70/49/563467049.db2.gz AGPWRDDANDDQBU-AWEZNQCLSA-N 1 1 385.555 2.712 20 30 GFEDMO O=C(CNC(=O)c1ccc(Br)cc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329930722 563491664 /nfs/dbraw/zinc/49/16/64/563491664.db2.gz ORERKADAZUHACK-CABCVRRESA-N 1 1 380.286 2.762 20 30 GFEDMO N#Cc1ccc(NC(=O)C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000428995093 563506472 /nfs/dbraw/zinc/50/64/72/563506472.db2.gz CIGOBMXCVGBJHJ-MRXNPFEDSA-N 1 1 392.228 2.722 20 30 GFEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)[C@@H](C)C1 ZINC000331164997 563538590 /nfs/dbraw/zinc/53/85/90/563538590.db2.gz HMNOUULVKSIRTR-WDEREUQCSA-N 1 1 377.819 2.874 20 30 GFEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(F)c(Br)c1 ZINC000331297485 563544213 /nfs/dbraw/zinc/54/42/13/563544213.db2.gz OVEURJJOIGXTPU-LLVKDONJSA-N 1 1 388.281 2.911 20 30 GFEDMO N#Cc1cccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1Br ZINC000331409424 563548624 /nfs/dbraw/zinc/54/86/24/563548624.db2.gz GAUREBNOXXBTOU-AWEZNQCLSA-N 1 1 392.297 2.505 20 30 GFEDMO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000409598392 563566328 /nfs/dbraw/zinc/56/63/28/563566328.db2.gz VFCNDBHCEXCLFT-LBPRGKRZSA-N 1 1 375.416 2.587 20 30 GFEDMO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435161551 563643816 /nfs/dbraw/zinc/64/38/16/563643816.db2.gz DNVBPEZNHUOOHZ-GFCCVEGCSA-N 1 1 375.416 2.730 20 30 GFEDMO CC(C)[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000435434359 563650260 /nfs/dbraw/zinc/65/02/60/563650260.db2.gz SBEAYNNIOLELBI-ZDUSSCGKSA-N 1 1 375.416 2.728 20 30 GFEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)COc1cccc(Br)c1C#N ZINC000449855219 564205761 /nfs/dbraw/zinc/20/57/61/564205761.db2.gz KTKCNJCCAHLGBI-ZDUSSCGKSA-N 1 1 380.286 2.690 20 30 GFEDMO Cc1[nH+]ccn1CCCCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449936333 564210055 /nfs/dbraw/zinc/21/00/55/564210055.db2.gz VVPPCTWLOXCPKZ-UHFFFAOYSA-N 1 1 391.269 2.801 20 30 GFEDMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000450098365 564216580 /nfs/dbraw/zinc/21/65/80/564216580.db2.gz VDTGHHFXXUVWIS-SWLSCSKDSA-N 1 1 380.286 2.544 20 30 GFEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000450105494 564217646 /nfs/dbraw/zinc/21/76/46/564217646.db2.gz PEUAXMYBIVONDN-AWEZNQCLSA-N 1 1 394.313 2.794 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)c1ccccc1 ZINC000450975510 564258159 /nfs/dbraw/zinc/25/81/59/564258159.db2.gz XHGMJGFGDAFLAN-KRWDZBQOSA-N 1 1 377.897 2.987 20 30 GFEDMO N#Cc1cccc(NC(=O)C[NH2+][C@@H](CCO)c2ccccc2Br)c1 ZINC000541022361 564263371 /nfs/dbraw/zinc/26/33/71/564263371.db2.gz ARFRXCJFIZUXSL-KRWDZBQOSA-N 1 1 388.265 2.973 20 30 GFEDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000510980406 564352555 /nfs/dbraw/zinc/35/25/55/564352555.db2.gz FPRJTAMFNXFPGU-AWEZNQCLSA-N 1 1 375.416 2.730 20 30 GFEDMO N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000567336432 564367118 /nfs/dbraw/zinc/36/71/18/564367118.db2.gz LOXAQBYBQDTWEW-CYBMUJFWSA-N 1 1 392.297 2.833 20 30 GFEDMO CCN1CCN(CC(C)(C)[NH2+]Cc2ccc(Br)cc2C#N)CC1 ZINC000451990700 564377066 /nfs/dbraw/zinc/37/70/66/564377066.db2.gz RTEKCSRFVABKTI-UHFFFAOYSA-N 1 1 379.346 2.826 20 30 GFEDMO C[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CC[N@H+](C2CC2)C1 ZINC000452159546 564397162 /nfs/dbraw/zinc/39/71/62/564397162.db2.gz AAVIWVMNOVBTEC-ZDUSSCGKSA-N 1 1 392.297 2.642 20 30 GFEDMO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000516162041 564495188 /nfs/dbraw/zinc/49/51/88/564495188.db2.gz ZQOCIXQUZWGNMN-YOEHRIQHSA-N 1 1 384.933 2.545 20 30 GFEDMO N#Cc1c(Br)cccc1NCC1([NH+]2CCOCC2)CCOCC1 ZINC000517222570 564528312 /nfs/dbraw/zinc/52/83/12/564528312.db2.gz RLKDMZSUSFSTME-UHFFFAOYSA-N 1 1 380.286 2.614 20 30 GFEDMO Cn1ncc(Br)c1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000527807487 564761816 /nfs/dbraw/zinc/76/18/16/564761816.db2.gz DDNZLEVKBIVEKE-UHFFFAOYSA-N 1 1 375.270 2.850 20 30 GFEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](CCO)c1ccccc1Br ZINC000581063730 564785616 /nfs/dbraw/zinc/78/56/16/564785616.db2.gz WOQUTYKKRNUOLL-DOTOQJQBSA-N 1 1 382.302 2.517 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)c1ccc(Cl)c(Cl)c1 ZINC000528545767 564793045 /nfs/dbraw/zinc/79/30/45/564793045.db2.gz HLEGRHIEJJACOG-INIZCTEOSA-N 1 1 399.303 2.841 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1cccnc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000528545256 564793374 /nfs/dbraw/zinc/79/33/74/564793374.db2.gz DVSKRYMUYPJHGU-HNNXBMFYSA-N 1 1 399.303 2.841 20 30 GFEDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492671653 564803609 /nfs/dbraw/zinc/80/36/09/564803609.db2.gz KTKDCOJSOMREMS-HIFRSBDPSA-N 1 1 394.313 2.684 20 30 GFEDMO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1c(F)ccc(Br)c1F ZINC000558607550 564908838 /nfs/dbraw/zinc/90/88/38/564908838.db2.gz FWYLUAZHJNXFLC-UHFFFAOYSA-N 1 1 384.228 2.799 20 30 GFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1c(F)ccc(Br)c1F ZINC000558607550 564908840 /nfs/dbraw/zinc/90/88/40/564908840.db2.gz FWYLUAZHJNXFLC-UHFFFAOYSA-N 1 1 384.228 2.799 20 30 GFEDMO CC1(C)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@@]1=O ZINC000562737927 565041785 /nfs/dbraw/zinc/04/17/85/565041785.db2.gz XPELAKAWUGKHIF-VWLOTQADSA-N 1 1 379.551 2.670 20 30 GFEDMO CC1(C)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@@]1=O ZINC000562737927 565041787 /nfs/dbraw/zinc/04/17/87/565041787.db2.gz XPELAKAWUGKHIF-VWLOTQADSA-N 1 1 379.551 2.670 20 30 GFEDMO C=CCOCCC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000470720710 565054457 /nfs/dbraw/zinc/05/44/57/565054457.db2.gz YINQYFNRIPBLIM-UHFFFAOYSA-N 1 1 378.947 2.691 20 30 GFEDMO C=CCOCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000470720710 565054458 /nfs/dbraw/zinc/05/44/58/565054458.db2.gz YINQYFNRIPBLIM-UHFFFAOYSA-N 1 1 378.947 2.691 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658435295 565169013 /nfs/dbraw/zinc/16/90/13/565169013.db2.gz ZLXIGTXJLKLBDG-CYBMUJFWSA-N 1 1 383.945 2.905 20 30 GFEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(Br)cc1C#N ZINC000593079375 565311223 /nfs/dbraw/zinc/31/12/23/565311223.db2.gz CIXJWJLTFHPMCZ-SJORKVTESA-N 1 1 376.298 2.948 20 30 GFEDMO Cc1[nH+]ccn1CCCN(C)C(=O)Cc1ccc(Br)cc1C#N ZINC000593542196 565339110 /nfs/dbraw/zinc/33/91/10/565339110.db2.gz FZKOTRTZBYVCCO-UHFFFAOYSA-N 1 1 375.270 2.917 20 30 GFEDMO N#CCc1cccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000619473647 565343922 /nfs/dbraw/zinc/34/39/22/565343922.db2.gz SZUIAPBHDVWJEU-KRWDZBQOSA-N 1 1 375.519 2.930 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000594747123 565413787 /nfs/dbraw/zinc/41/37/87/565413787.db2.gz CPJFBGCIKWSJQZ-CQSZACIVSA-N 1 1 375.519 2.844 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000594757188 565414916 /nfs/dbraw/zinc/41/49/16/565414916.db2.gz ABCBYSHSZXIEMM-BZNIZROVSA-N 1 1 375.519 2.842 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000594757188 565414921 /nfs/dbraw/zinc/41/49/21/565414921.db2.gz ABCBYSHSZXIEMM-BZNIZROVSA-N 1 1 375.519 2.842 20 30 GFEDMO C[N@@H+](CCN1CCN(c2nc(C#N)c(Cl)s2)CC1)Cc1ccccc1 ZINC000596113226 565514172 /nfs/dbraw/zinc/51/41/72/565514172.db2.gz QRYLGMPPTZUFQP-UHFFFAOYSA-N 1 1 375.929 2.922 20 30 GFEDMO Cc1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ncc1Br ZINC000598972139 565651601 /nfs/dbraw/zinc/65/16/01/565651601.db2.gz DSHOCBDSUZDHGS-SFHVURJKSA-N 1 1 399.292 2.915 20 30 GFEDMO N#CC1(C[C@H](O)C[NH2+]Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000600736073 565747382 /nfs/dbraw/zinc/74/73/82/565747382.db2.gz PSYRGEZFJQVNSA-ZDUSSCGKSA-N 1 1 377.242 2.643 20 30 GFEDMO Cn1ncc(Br)c1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000601144202 565768190 /nfs/dbraw/zinc/76/81/90/565768190.db2.gz QPZLSCJVNNTDLZ-UHFFFAOYSA-N 1 1 388.313 2.808 20 30 GFEDMO Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)oc1C ZINC000833000829 601305296 /nfs/dbraw/zinc/30/52/96/601305296.db2.gz KCPHJZZKAMIJHC-FQEVSTJZSA-N 1 1 382.464 2.791 20 30 GFEDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)CN1Cc1ccc(C#N)cc1 ZINC000826232540 607553542 /nfs/dbraw/zinc/55/35/42/607553542.db2.gz UYJCGFWBRAUEQA-SJORKVTESA-N 1 1 387.491 2.833 20 30 GFEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3cc(-c4nn[nH]n4)cs3)CC2)cc1 ZINC000826384701 608509674 /nfs/dbraw/zinc/50/96/74/608509674.db2.gz GNJOFWCUNPMBQQ-UHFFFAOYSA-N 1 1 379.493 2.508 20 30 GFEDMO C#CCCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000823845352 608852105 /nfs/dbraw/zinc/85/21/05/608852105.db2.gz OYSKJQPTOBAVTF-OAQYLSRUSA-N 1 1 389.459 2.842 20 30 GFEDMO C#CCCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000823845352 608852108 /nfs/dbraw/zinc/85/21/08/608852108.db2.gz OYSKJQPTOBAVTF-OAQYLSRUSA-N 1 1 389.459 2.842 20 30 GFEDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1C ZINC000266232256 654865132 /nfs/dbraw/zinc/86/51/32/654865132.db2.gz UQWWGZSTBNBGPI-YPMHNXCESA-N 1 1 375.416 2.680 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](CCO)CCCO)cc1OCC ZINC000271207539 655070494 /nfs/dbraw/zinc/07/04/94/655070494.db2.gz WNEWIVAFGUWGEA-UHFFFAOYSA-N 1 1 388.302 2.589 20 30 GFEDMO Cc1[nH+]ccn1CCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000272638469 655117747 /nfs/dbraw/zinc/11/77/47/655117747.db2.gz LIDICHMGMRLJBL-GOSISDBHSA-N 1 1 388.313 2.837 20 30 GFEDMO C[NH+]=C(NCc1nc(C)c(C)s1)NCC1(N2CCSCC2)CCCC1 ZINC000262355768 655445264 /nfs/dbraw/zinc/44/52/64/655445264.db2.gz FWQWACIVRGFRCD-UHFFFAOYSA-N 1 1 381.615 2.787 20 30 GFEDMO CC[NH+]=C(NCc1ccc(Br)cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000262750038 655446859 /nfs/dbraw/zinc/44/68/59/655446859.db2.gz GEUCQCZQZYNOEK-QGZVFWFLSA-N 1 1 377.330 2.861 20 30 GFEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1 ZINC000749657493 655806295 /nfs/dbraw/zinc/80/62/95/655806295.db2.gz XWYWQWVHECACGT-KRWDZBQOSA-N 1 1 380.275 2.654 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000772648836 656384945 /nfs/dbraw/zinc/38/49/45/656384945.db2.gz FLKKPLOBPHBATK-DLBZAZTESA-N 1 1 395.272 2.586 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000772648836 656384948 /nfs/dbraw/zinc/38/49/48/656384948.db2.gz FLKKPLOBPHBATK-DLBZAZTESA-N 1 1 395.272 2.586 20 30 GFEDMO C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000776595468 656764363 /nfs/dbraw/zinc/76/43/63/656764363.db2.gz MELNODFWQXCIFI-OAHLLOKOSA-N 1 1 378.314 2.725 20 30 GFEDMO C#CC[C@H]1NC(=O)N(C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000842245494 661329981 /nfs/dbraw/zinc/32/99/81/661329981.db2.gz XADHGYZDMYBAMY-MRXNPFEDSA-N 1 1 380.275 2.902 20 30 GFEDMO C#CC1CC[NH+](CN2C(=O)C[C@](C)(c3ccc(Br)cc3)C2=O)CC1 ZINC000842633164 661346727 /nfs/dbraw/zinc/34/67/27/661346727.db2.gz BXVHKTICDHKANP-LJQANCHMSA-N 1 1 389.293 2.768 20 30 GFEDMO COCO[C@@H](C)c1cc(F)c(C=NN2CC[NH+](C)CC2)cc1Br ZINC000863065201 662311147 /nfs/dbraw/zinc/31/11/47/662311147.db2.gz ZZMYTJFXCWPEKW-LBPRGKRZSA-N 1 1 388.281 2.851 20 30 GFEDMO N#Cc1ccc(C2CC[NH+](C[C@@H](O)c3cc(Br)no3)CC2)nc1 ZINC000879023727 662913580 /nfs/dbraw/zinc/91/35/80/662913580.db2.gz QDPPKRHLHWGWED-CQSZACIVSA-N 1 1 377.242 2.617 20 30 GFEDMO C#CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000880481061 662960778 /nfs/dbraw/zinc/96/07/78/662960778.db2.gz DVONIHLHLFFEFR-CQSZACIVSA-N 1 1 379.298 2.935 20 30 GFEDMO N#Cc1cnc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(Br)c1 ZINC000882598336 663033016 /nfs/dbraw/zinc/03/30/16/663033016.db2.gz FUWNZHHSQXTDGF-INIZCTEOSA-N 1 1 387.281 2.894 20 30 GFEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885284703 663088313 /nfs/dbraw/zinc/08/83/13/663088313.db2.gz XQOFAEIYZBIIMC-YIZRAAEISA-N 1 1 380.279 2.710 20 30 GFEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CCC1 ZINC000886274271 663106662 /nfs/dbraw/zinc/10/66/62/663106662.db2.gz PTTHDNWODKYMON-LSDHHAIUSA-N 1 1 380.286 2.742 20 30 GFEDMO C#CCC1(O)CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000895669454 663522459 /nfs/dbraw/zinc/52/24/59/663522459.db2.gz DZINUNJCEZBMIK-UHFFFAOYSA-N 1 1 393.325 2.636 20 30 GFEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cc(Cl)ccc1Cl ZINC000916310546 664456945 /nfs/dbraw/zinc/45/69/45/664456945.db2.gz WOQJUNKXJJPNEE-UHFFFAOYSA-N 1 1 389.352 2.904 20 30 GFEDMO C=CC[N@H+](CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)C(C)C ZINC000920412295 664525783 /nfs/dbraw/zinc/52/57/83/664525783.db2.gz XGAPOXNSTMUJTG-UHFFFAOYSA-N 1 1 387.933 2.815 20 30 GFEDMO CC(C)[C@H](C[NH2+]Cc1cc(C#N)ccc1Br)N1CCN(C)CC1 ZINC000921523454 664552055 /nfs/dbraw/zinc/55/20/55/664552055.db2.gz XNASOPKRYRJWSZ-SFHVURJKSA-N 1 1 379.346 2.682 20 30 GFEDMO N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928075484 664721934 /nfs/dbraw/zinc/72/19/34/664721934.db2.gz CXZPWHPZVXSGCY-CVEARBPZSA-N 1 1 394.338 2.559 20 30 GFEDMO N#CCCN(CCC#N)C(=O)C[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000932208867 664813611 /nfs/dbraw/zinc/81/36/11/664813611.db2.gz OROROHGHPYAZKI-HNNXBMFYSA-N 1 1 391.269 2.518 20 30 GFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C#N)CC2 ZINC001164711578 720096376 /nfs/dbraw/zinc/09/63/76/720096376.db2.gz RCMWIXTXCBIHTK-FQEVSTJZSA-N 1 1 377.492 2.856 20 30 GFEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nnc(Cl)cc3C#N)CC[C@@H]21 ZINC001164836557 720521809 /nfs/dbraw/zinc/52/18/09/720521809.db2.gz NESOPJIHLVLARZ-ULQDDVLXSA-N 1 1 385.903 2.576 20 30 GFEDMO N#Cc1cc(Cl)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740611 720841228 /nfs/dbraw/zinc/84/12/28/720841228.db2.gz DCQVQSUOJJGJDO-QXAKKESOSA-N 1 1 397.914 2.578 20 30 GFEDMO CC(C)N(C)Cc1cnc2n1CCN(c1ncc3c(c1C#N)CCC[NH2+]C3)[C@H]2C ZINC001164862554 720921237 /nfs/dbraw/zinc/92/12/37/720921237.db2.gz WIJQSEQIFPEUAT-INIZCTEOSA-N 1 1 393.539 2.607 20 30 GFEDMO N#Cc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc2ccccc12 ZINC001164881111 721140214 /nfs/dbraw/zinc/14/02/14/721140214.db2.gz ZCCROWIFHYVXLP-PMACEKPBSA-N 1 1 385.471 2.981 20 30 GFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Cl)c2C#N)[C@H]2CCCO[C@@H]12 ZINC001164810135 721540066 /nfs/dbraw/zinc/54/00/66/721540066.db2.gz XDGLVHISVLTAMI-IPMKNSEASA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Cl)c2C#N)[C@H]2CCCO[C@@H]12 ZINC001164810135 721540069 /nfs/dbraw/zinc/54/00/69/721540069.db2.gz XDGLVHISVLTAMI-IPMKNSEASA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)CCC3)[C@H]2CCCO[C@@H]12 ZINC001164801734 721577623 /nfs/dbraw/zinc/57/76/23/721577623.db2.gz FMNVIIMDGBVRQC-BHDDXSALSA-N 1 1 389.503 2.705 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)CCC3)[C@H]2CCCO[C@@H]12 ZINC001164801734 721577625 /nfs/dbraw/zinc/57/76/25/721577625.db2.gz FMNVIIMDGBVRQC-BHDDXSALSA-N 1 1 389.503 2.705 20 30 GFEDMO N#Cc1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164985215 722098511 /nfs/dbraw/zinc/09/85/11/722098511.db2.gz VPAKCSLSLMXSJT-QZTJIDSGSA-N 1 1 383.883 2.729 20 30 GFEDMO N#Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164978187 722102374 /nfs/dbraw/zinc/10/23/74/722102374.db2.gz GBJHUMQWLFTDAB-PKOBYXMFSA-N 1 1 383.883 2.729 20 30 GFEDMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)NC[C@@H]2CCCCO2)[C@@H]1c1cnn(C)c1 ZINC000328617932 521614886 /nfs/dbraw/zinc/61/48/86/521614886.db2.gz DFJMILWYDRMWLG-YTQUADARSA-N 1 1 377.533 2.608 20 30 GFEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000121234904 551230124 /nfs/dbraw/zinc/23/01/24/551230124.db2.gz SEJIIBRYLFHNQB-ZDUSSCGKSA-N 1 1 387.933 2.815 20 30 GFEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000121234904 551230127 /nfs/dbraw/zinc/23/01/27/551230127.db2.gz SEJIIBRYLFHNQB-ZDUSSCGKSA-N 1 1 387.933 2.815 20 30 GFEDMO C#CCSCCNC(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000154256635 551470380 /nfs/dbraw/zinc/47/03/80/551470380.db2.gz UZQRRWXPROCWJT-UHFFFAOYSA-N 1 1 380.583 2.583 20 30 GFEDMO N#CCCCCS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161829485 551598767 /nfs/dbraw/zinc/59/87/67/551598767.db2.gz OHTXCZWRJRJTPO-MRXNPFEDSA-N 1 1 385.917 2.623 20 30 GFEDMO N#CCCCCS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161829485 551598771 /nfs/dbraw/zinc/59/87/71/551598771.db2.gz OHTXCZWRJRJTPO-MRXNPFEDSA-N 1 1 385.917 2.623 20 30 GFEDMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000175396970 552120437 /nfs/dbraw/zinc/12/04/37/552120437.db2.gz ZMGMPHAAMGLWGZ-CQSZACIVSA-N 1 1 375.416 2.682 20 30 GFEDMO CSCC[C@H](C)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000183190537 552302771 /nfs/dbraw/zinc/30/27/71/552302771.db2.gz YQUJEXJAMCRLSQ-HOTGVXAUSA-N 1 1 380.583 2.530 20 30 GFEDMO CSCC[C@H](C)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245924495 553099893 /nfs/dbraw/zinc/09/98/93/553099893.db2.gz YQUJEXJAMCRLSQ-JKSUJKDBSA-N 1 1 380.583 2.530 20 30 GFEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000245971374 553100501 /nfs/dbraw/zinc/10/05/01/553100501.db2.gz APRFHRCETHMHKQ-HIFRSBDPSA-N 1 1 382.302 2.822 20 30 GFEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246217722 553104611 /nfs/dbraw/zinc/10/46/11/553104611.db2.gz AXUQSQNZZAMLGN-GUYCJALGSA-N 1 1 379.913 2.849 20 30 GFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000294779554 563216978 /nfs/dbraw/zinc/21/69/78/563216978.db2.gz ALEAKNROONSXDG-GASCZTMLSA-N 1 1 392.345 2.711 20 30 GFEDMO COc1cc(Br)ccc1C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373483568 563340312 /nfs/dbraw/zinc/34/03/12/563340312.db2.gz JOMADJWPEHLCSP-UHFFFAOYSA-N 1 1 376.258 2.758 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000297988251 563341429 /nfs/dbraw/zinc/34/14/29/563341429.db2.gz ZTZHGBUNABIGSV-CQSZACIVSA-N 1 1 383.945 2.716 20 30 GFEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000328960904 563469150 /nfs/dbraw/zinc/46/91/50/563469150.db2.gz KNWONRBKFQBPMV-HUUCEWRRSA-N 1 1 385.555 2.590 20 30 GFEDMO N#CCC1(CS(=O)(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000329551595 563482740 /nfs/dbraw/zinc/48/27/40/563482740.db2.gz CWJHEOOGHHZVSG-UHFFFAOYSA-N 1 1 381.929 2.918 20 30 GFEDMO CC[C@@H]1CN(C(=O)Nc2nc(C(F)(F)F)cs2)C[C@@H]1[NH+]1CCOCC1 ZINC000330182079 563497767 /nfs/dbraw/zinc/49/77/67/563497767.db2.gz HAYGUHQBHVGACK-MNOVXSKESA-N 1 1 378.420 2.750 20 30 GFEDMO C[C@@H](NS(=O)(=O)c1ccc(C#N)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386616590 563518777 /nfs/dbraw/zinc/51/87/77/563518777.db2.gz NHQSTUHVKQFUMB-ZBFHGGJFSA-N 1 1 375.519 2.809 20 30 GFEDMO CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(Br)cn2)CC[N@H+]1CCOC ZINC000331065513 563533794 /nfs/dbraw/zinc/53/37/94/563533794.db2.gz QKIVFYVROWBXCE-UKRRQHHQSA-N 1 1 399.333 2.862 20 30 GFEDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(F)cc2C#N)[C@@H]1c1cccs1 ZINC000363166852 563715865 /nfs/dbraw/zinc/71/58/65/563715865.db2.gz YTXZSIIWHVXICU-YVEFUNNKSA-N 1 1 379.482 2.730 20 30 GFEDMO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000443107560 563792796 /nfs/dbraw/zinc/79/27/96/563792796.db2.gz GRXMLGCLRSZAQB-LBPRGKRZSA-N 1 1 375.416 2.730 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000294057361 563830992 /nfs/dbraw/zinc/83/09/92/563830992.db2.gz UUJHUFICDGQJOR-UHFFFAOYSA-N 1 1 393.325 2.569 20 30 GFEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000449812392 564203079 /nfs/dbraw/zinc/20/30/79/564203079.db2.gz CRRSQPUKEHYEQL-CQSZACIVSA-N 1 1 394.313 2.936 20 30 GFEDMO N#Cc1ccc(NC(=O)C[NH2+][C@H](CCO)c2ccccc2Br)cc1 ZINC000542879762 564329492 /nfs/dbraw/zinc/32/94/92/564329492.db2.gz LWVQRLCPCLMNBI-QGZVFWFLSA-N 1 1 388.265 2.973 20 30 GFEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000451882195 564362253 /nfs/dbraw/zinc/36/22/53/564362253.db2.gz CJCHLUYAVOIHAO-ABAIWWIYSA-N 1 1 375.778 2.785 20 30 GFEDMO N#CC1(CS(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCCC1 ZINC000545365705 564419889 /nfs/dbraw/zinc/41/98/89/564419889.db2.gz BPHLAONPEUINHS-INIZCTEOSA-N 1 1 381.567 2.963 20 30 GFEDMO CN(C1CC[NH+](CCC(F)(F)F)CC1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000519080622 564569436 /nfs/dbraw/zinc/56/94/36/564569436.db2.gz DFDLMJJKXULFCE-UHFFFAOYSA-N 1 1 381.464 2.749 20 30 GFEDMO C[NH+]1CCN(c2ncc(Br)cc2NCc2nc(C#N)cs2)CC1 ZINC000571973106 564575200 /nfs/dbraw/zinc/57/52/00/564575200.db2.gz QYHSSBRBEBKMEZ-UHFFFAOYSA-N 1 1 393.314 2.536 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2c(C)cc(Br)cc2C)CC1 ZINC000521582135 564630614 /nfs/dbraw/zinc/63/06/14/564630614.db2.gz KECUVIFHEWQIBX-UHFFFAOYSA-N 1 1 387.343 2.995 20 30 GFEDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000576505275 564714492 /nfs/dbraw/zinc/71/44/92/564714492.db2.gz FCUMQEMAJXPSFQ-GFCCVEGCSA-N 1 1 377.432 2.976 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)NCC[N@H+]1CCCOCC1 ZINC000459659946 564755726 /nfs/dbraw/zinc/75/57/26/564755726.db2.gz NNBKXUSLUZOLFQ-UHFFFAOYSA-N 1 1 398.301 2.858 20 30 GFEDMO C[C@@]12CC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C[C@@H]1C2(Cl)Cl ZINC000528497995 564789763 /nfs/dbraw/zinc/78/97/63/564789763.db2.gz SKTVYLIRGBFRIR-MAUKXSAKSA-N 1 1 377.271 2.802 20 30 GFEDMO C[C@@]12CC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C[C@@H]1C2(Cl)Cl ZINC000528497995 564789768 /nfs/dbraw/zinc/78/97/68/564789768.db2.gz SKTVYLIRGBFRIR-MAUKXSAKSA-N 1 1 377.271 2.802 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000558336804 564897748 /nfs/dbraw/zinc/89/77/48/564897748.db2.gz VOIPDQQTNHSSCH-DOMZBBRYSA-N 1 1 381.929 2.515 20 30 GFEDMO N#Cc1cc(Br)ccc1C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000590626220 565195269 /nfs/dbraw/zinc/19/52/69/565195269.db2.gz DGEQGTSBMKMWRL-MRXNPFEDSA-N 1 1 392.297 2.648 20 30 GFEDMO C[NH+](C)[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)c1ccco1 ZINC000593010675 565305995 /nfs/dbraw/zinc/30/59/95/565305995.db2.gz KILRDQNGQDZAFQ-OAHLLOKOSA-N 1 1 376.254 2.875 20 30 GFEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593101666 565314129 /nfs/dbraw/zinc/31/41/29/565314129.db2.gz QYWAKGLJYVCSSU-WMLDXEAASA-N 1 1 376.298 2.806 20 30 GFEDMO Cn1ncc(Br)c1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000594978980 565439683 /nfs/dbraw/zinc/43/96/83/565439683.db2.gz DYNGBDAZIVQIDM-UHFFFAOYSA-N 1 1 375.270 2.850 20 30 GFEDMO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)cc1 ZINC000595828182 565492341 /nfs/dbraw/zinc/49/23/41/565492341.db2.gz IPPNSZNYSLFPEB-DYVFJYSZSA-N 1 1 381.259 2.928 20 30 GFEDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)COc1ccc(C#N)c(Br)c1)C2 ZINC000597710503 565570812 /nfs/dbraw/zinc/57/08/12/565570812.db2.gz NWUIDLDJRMBRQP-GOSISDBHSA-N 1 1 392.297 2.644 20 30 GFEDMO CCN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CC[N@@H+](CC)C1 ZINC000598039805 565589425 /nfs/dbraw/zinc/58/94/25/565589425.db2.gz NKAAYNZWYRHFCZ-CYBMUJFWSA-N 1 1 380.286 2.642 20 30 GFEDMO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000598590147 565628792 /nfs/dbraw/zinc/62/87/92/565628792.db2.gz RFBDYVIRARSYJR-ZDUSSCGKSA-N 1 1 386.359 2.929 20 30 GFEDMO N#CC1(C[C@@H](O)C[N@@H+]2CCc3cc(Br)ccc3C2)CCOCC1 ZINC000599385242 565674626 /nfs/dbraw/zinc/67/46/26/565674626.db2.gz AELSCXUNDCZNIH-QGZVFWFLSA-N 1 1 379.298 2.879 20 30 GFEDMO N#CC1(C[C@@H](O)C[N@H+]2CCc3cc(Br)ccc3C2)CCOCC1 ZINC000599385242 565674629 /nfs/dbraw/zinc/67/46/29/565674629.db2.gz AELSCXUNDCZNIH-QGZVFWFLSA-N 1 1 379.298 2.879 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2sc(Br)cc2C)CC1 ZINC000651551515 565871046 /nfs/dbraw/zinc/87/10/46/565871046.db2.gz DGLYJUNAQDKHDR-UHFFFAOYSA-N 1 1 379.345 2.748 20 30 GFEDMO N#Cc1ccc(C[NH+]2CCN(c3cc(C#N)c(Br)cn3)CC2)cc1 ZINC000603269039 565893110 /nfs/dbraw/zinc/89/31/10/565893110.db2.gz OGDAHSLSBADKCX-UHFFFAOYSA-N 1 1 382.265 2.910 20 30 GFEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000609537802 566042452 /nfs/dbraw/zinc/04/24/52/566042452.db2.gz DTDTWVCWMOPHOZ-WBVHZDCISA-N 1 1 386.323 2.899 20 30 GFEDMO CC(C)[C@@H](C#N)N1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000611431935 566129021 /nfs/dbraw/zinc/12/90/21/566129021.db2.gz DHSRKFMXXUUMEN-KBXCAEBGSA-N 1 1 386.323 2.899 20 30 GFEDMO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCCCCn1cc[nH+]c1C ZINC000819743434 599675316 /nfs/dbraw/zinc/67/53/16/599675316.db2.gz JMPVGBAJENSGPJ-UHFFFAOYSA-N 1 1 394.483 2.550 20 30 GFEDMO C[C@@H]1CN(Cc2cccc(C#N)c2)[C@@H](C)C[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC000826232466 607554842 /nfs/dbraw/zinc/55/48/42/607554842.db2.gz NZLDSXBTOKNSKM-DLBZAZTESA-N 1 1 387.491 2.833 20 30 GFEDMO COCC[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821689533 606890141 /nfs/dbraw/zinc/89/01/41/606890141.db2.gz BRQLXUMHEIUUTB-UHFFFAOYSA-N 1 1 392.463 2.656 20 30 GFEDMO C=CCC(CC=C)C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819734339 606918363 /nfs/dbraw/zinc/91/83/63/606918363.db2.gz MJFRUBJFEVUYMH-UHFFFAOYSA-N 1 1 380.496 2.669 20 30 GFEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)Cc2ccc(C#N)cc2)c1-c1nn[nH]n1 ZINC000826332596 608308870 /nfs/dbraw/zinc/30/88/70/608308870.db2.gz YTGPHXQIHJTXMV-UHFFFAOYSA-N 1 1 384.447 2.865 20 30 GFEDMO N#Cc1cccc(CN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1F ZINC000826386892 608642949 /nfs/dbraw/zinc/64/29/49/608642949.db2.gz XKBQOMXZZHCPOC-UHFFFAOYSA-N 1 1 391.454 2.585 20 30 GFEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccc(F)cc1 ZINC000823877763 609371204 /nfs/dbraw/zinc/37/12/04/609371204.db2.gz FIFCTQYHCYFVKN-UHFFFAOYSA-N 1 1 397.458 2.860 20 30 GFEDMO C=C(C)C[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccc(F)cc1 ZINC000823877763 609371206 /nfs/dbraw/zinc/37/12/06/609371206.db2.gz FIFCTQYHCYFVKN-UHFFFAOYSA-N 1 1 397.458 2.860 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000817769639 660208366 /nfs/dbraw/zinc/20/83/66/660208366.db2.gz YIGMKWQOZXBUGR-AEFFLSMTSA-N 1 1 375.310 2.938 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000817769639 660208368 /nfs/dbraw/zinc/20/83/68/660208368.db2.gz YIGMKWQOZXBUGR-AEFFLSMTSA-N 1 1 375.310 2.938 20 30 GFEDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)COc1ccc(C#N)c(Br)c1 ZINC000835212694 660844952 /nfs/dbraw/zinc/84/49/52/660844952.db2.gz NQUSSDAPQZAJBL-LLVKDONJSA-N 1 1 378.226 2.836 20 30 GFEDMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)C#CC(C)(C)C)CC1 ZINC000837691013 661012046 /nfs/dbraw/zinc/01/20/46/661012046.db2.gz MVVYNBILFIGVNW-UHFFFAOYSA-N 1 1 379.302 2.584 20 30 GFEDMO C#CCC[NH+]1CCN(Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000127367683 654827897 /nfs/dbraw/zinc/82/78/97/654827897.db2.gz DNJZJEVFXFPDII-UHFFFAOYSA-N 1 1 381.299 2.702 20 30 GFEDMO C[C@@](C#N)(NC(=O)C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000078772628 655005277 /nfs/dbraw/zinc/00/52/77/655005277.db2.gz SSYXUHNWHGMZSL-SFHVURJKSA-N 1 1 384.307 2.986 20 30 GFEDMO C[C@@](C#N)(NC(=O)C[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000078772628 655005281 /nfs/dbraw/zinc/00/52/81/655005281.db2.gz SSYXUHNWHGMZSL-SFHVURJKSA-N 1 1 384.307 2.986 20 30 GFEDMO C[N@@H+](CCNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CCCC1 ZINC000104755439 655086026 /nfs/dbraw/zinc/08/60/26/655086026.db2.gz LNFJBMMFVSOFIE-UHFFFAOYSA-N 1 1 375.416 2.730 20 30 GFEDMO N#CCCCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114498424 655225105 /nfs/dbraw/zinc/22/51/05/655225105.db2.gz RMXPSODXGSWZBH-HNNXBMFYSA-N 1 1 375.416 2.503 20 30 GFEDMO N#CCCCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114498424 655225107 /nfs/dbraw/zinc/22/51/07/655225107.db2.gz RMXPSODXGSWZBH-HNNXBMFYSA-N 1 1 375.416 2.503 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](CC)CC(=O)NCC)cc1OC ZINC000119318585 655298680 /nfs/dbraw/zinc/29/86/80/655298680.db2.gz DGCWVVGNAJGXJZ-UHFFFAOYSA-N 1 1 385.302 2.981 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+](CC)CC(=O)NCC)cc1OC ZINC000119318585 655298685 /nfs/dbraw/zinc/29/86/85/655298685.db2.gz DGCWVVGNAJGXJZ-UHFFFAOYSA-N 1 1 385.302 2.981 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000289292321 655345663 /nfs/dbraw/zinc/34/56/63/655345663.db2.gz YLLQZCYAGNDHTQ-GOSISDBHSA-N 1 1 377.897 2.934 20 30 GFEDMO C[C@]1(CNS(=O)(=O)c2ccc(C#N)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310921558 655379256 /nfs/dbraw/zinc/37/92/56/655379256.db2.gz RHGVAEBXOLTCHU-GOSISDBHSA-N 1 1 375.519 2.810 20 30 GFEDMO CC(C)C[N@@H+](C)CCCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000593206288 655512309 /nfs/dbraw/zinc/51/23/09/655512309.db2.gz QMFNMENVKLSLOV-UHFFFAOYSA-N 1 1 382.302 2.794 20 30 GFEDMO CC[NH+]1CCN(CCCCNC(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000726464604 655535062 /nfs/dbraw/zinc/53/50/62/655535062.db2.gz FEAPENKDIUXWQA-UHFFFAOYSA-N 1 1 379.961 2.916 20 30 GFEDMO C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc(OCC#N)cc1 ZINC000731212727 655582517 /nfs/dbraw/zinc/58/25/17/655582517.db2.gz RYNIDBRSIRKYOL-UHFFFAOYSA-N 1 1 389.253 2.817 20 30 GFEDMO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc(OCC#N)cc1 ZINC000731212727 655582520 /nfs/dbraw/zinc/58/25/20/655582520.db2.gz RYNIDBRSIRKYOL-UHFFFAOYSA-N 1 1 389.253 2.817 20 30 GFEDMO C#CCOc1ccc(Br)cc1CNC[C@]1([NH+](C)C)CCSC1 ZINC000748243438 655788920 /nfs/dbraw/zinc/78/89/20/655788920.db2.gz GNRJBSZQTLNYNV-QGZVFWFLSA-N 1 1 383.355 2.988 20 30 GFEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000755881700 655890431 /nfs/dbraw/zinc/89/04/31/655890431.db2.gz WIXIBHZZOXUUAH-UHFFFAOYSA-N 1 1 389.352 2.904 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000756543755 655901799 /nfs/dbraw/zinc/90/17/99/655901799.db2.gz ROJLCGQSIIGZRI-KRWDZBQOSA-N 1 1 388.265 2.889 20 30 GFEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cc2c(s1)CCCC2 ZINC000764667275 656116396 /nfs/dbraw/zinc/11/63/96/656116396.db2.gz YYQCPDKDLVOJTA-UHFFFAOYSA-N 1 1 380.583 2.537 20 30 GFEDMO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccc([N+](=O)[O-])cc1Br ZINC000857212092 662068221 /nfs/dbraw/zinc/06/82/21/662068221.db2.gz RXLJMSMGSVDKFH-ZIAGYGMSSA-N 1 1 380.246 2.941 20 30 GFEDMO O=S(=O)(CC[NH2+]Cc1cccc(F)c1OC(F)(F)F)CC(F)(F)F ZINC000865624099 662432577 /nfs/dbraw/zinc/43/25/77/662432577.db2.gz INBTUIRWYIYELP-UHFFFAOYSA-N 1 1 383.285 2.791 20 30 GFEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000885287399 663088679 /nfs/dbraw/zinc/08/86/79/663088679.db2.gz RAKFYWRVIICZDZ-DJLDLDEBSA-N 1 1 380.279 2.568 20 30 GFEDMO C#CCSCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000889531504 663248114 /nfs/dbraw/zinc/24/81/14/663248114.db2.gz MUKHRULKUPKUEB-UHFFFAOYSA-N 1 1 381.339 2.896 20 30 GFEDMO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895164159 663501634 /nfs/dbraw/zinc/50/16/34/663501634.db2.gz DGCDAFMATZJQEJ-MRXNPFEDSA-N 1 1 393.285 2.721 20 30 GFEDMO Cc1nc(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)sc1SCC#N ZINC000900479383 663715345 /nfs/dbraw/zinc/71/53/45/663715345.db2.gz AXOHZHHLWPLTAE-UHFFFAOYSA-N 1 1 381.571 2.812 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1csc(C#N)c1)c1ccc(Cl)cc1 ZINC000914214699 664386657 /nfs/dbraw/zinc/38/66/57/664386657.db2.gz PTBVVTMRIQVENI-INIZCTEOSA-N 1 1 383.926 2.995 20 30 GFEDMO C=C(Br)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC001040302496 665075832 /nfs/dbraw/zinc/07/58/32/665075832.db2.gz JNLLSHAZEPTGOW-MPTZMVSHSA-N 1 1 395.341 2.633 20 30 GFEDMO C=C(Br)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC001040302496 665075834 /nfs/dbraw/zinc/07/58/34/665075834.db2.gz JNLLSHAZEPTGOW-MPTZMVSHSA-N 1 1 395.341 2.633 20 30 GFEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)c(C#N)cc1C#N)C2 ZINC001164816532 720113322 /nfs/dbraw/zinc/11/33/22/720113322.db2.gz ZXAULUQAGXQTDD-YLJYHZDGSA-N 1 1 385.899 2.663 20 30 GFEDMO Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C#N ZINC001164842119 720548226 /nfs/dbraw/zinc/54/82/26/720548226.db2.gz WQRUDRWOLNGZIV-XYJFISCASA-N 1 1 399.930 2.884 20 30 GFEDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)c(Cl)c(C)c3C#N)CC[C@@H]2C1 ZINC001164857769 720842427 /nfs/dbraw/zinc/84/24/27/720842427.db2.gz YPGWMMNNWJWYAT-UKRRQHHQSA-N 1 1 399.322 2.742 20 30 GFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(F)c3C#N)C2)C1 ZINC001164782933 721356424 /nfs/dbraw/zinc/35/64/24/721356424.db2.gz NSMIRUUAHAUZOO-NRFANRHFSA-N 1 1 399.470 2.816 20 30 GFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(F)c3C#N)C2)C1 ZINC001164782933 721356429 /nfs/dbraw/zinc/35/64/29/721356429.db2.gz NSMIRUUAHAUZOO-NRFANRHFSA-N 1 1 399.470 2.816 20 30 GFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Cl)c2C#N)[C@H]2CCCO[C@H]12 ZINC001164810136 721540261 /nfs/dbraw/zinc/54/02/61/721540261.db2.gz XDGLVHISVLTAMI-OTWHNJEPSA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Cl)c2C#N)[C@H]2CCCO[C@H]12 ZINC001164810136 721540264 /nfs/dbraw/zinc/54/02/64/721540264.db2.gz XDGLVHISVLTAMI-OTWHNJEPSA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3[nH]c(C#N)cc3n2)[C@@H]2CCCO[C@H]21 ZINC001164809873 721574547 /nfs/dbraw/zinc/57/45/47/721574547.db2.gz XSLZVFOXEZZNRP-KCZVDYSFSA-N 1 1 388.475 2.698 20 30 GFEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4[nH]cc(C#N)c43)C[C@H]21 ZINC001165026296 721799029 /nfs/dbraw/zinc/79/90/29/721799029.db2.gz QIRKSIPHMMKFQA-KFKAGJAMSA-N 1 1 387.491 2.961 20 30 GFEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C#N)nc(C)n4)CC3)C2)cc1 ZINC001164941252 721933352 /nfs/dbraw/zinc/93/33/52/721933352.db2.gz GUQPGGLPRSVYTK-UHFFFAOYSA-N 1 1 377.492 2.837 20 30 GFEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H]3CSCCS3)CC2)cc1 ZINC000153294956 551450027 /nfs/dbraw/zinc/45/00/27/551450027.db2.gz XDDOHHJTXJBBSM-GOSISDBHSA-N 1 1 375.563 2.831 20 30 GFEDMO Cn1cc(Br)cc1C[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000156900789 551529868 /nfs/dbraw/zinc/52/98/68/551529868.db2.gz HKZKNKWUSYRWFS-KRWDZBQOSA-N 1 1 392.297 2.725 20 30 GFEDMO C[N@H+](CCOc1ccc(C#N)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181066751 552245069 /nfs/dbraw/zinc/24/50/69/552245069.db2.gz GSRHHNMFIHKUEM-KRWDZBQOSA-N 1 1 388.265 2.858 20 30 GFEDMO C[N@@H+](CCOc1ccc(C#N)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181066751 552245070 /nfs/dbraw/zinc/24/50/70/552245070.db2.gz GSRHHNMFIHKUEM-KRWDZBQOSA-N 1 1 388.265 2.858 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000184491496 552336813 /nfs/dbraw/zinc/33/68/13/552336813.db2.gz PKRPSOVRKUURLB-UHFFFAOYSA-N 1 1 377.279 2.517 20 30 GFEDMO C=CC[N@H+](CCOC)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000191076975 552518100 /nfs/dbraw/zinc/51/81/00/552518100.db2.gz YBMXNSCLFRDOJE-ZDUSSCGKSA-N 1 1 378.694 2.977 20 30 GFEDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000246371846 553106960 /nfs/dbraw/zinc/10/69/60/553106960.db2.gz HMWCPARRUOOXOI-XHDPSFHLSA-N 1 1 375.416 2.538 20 30 GFEDMO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246579094 553109997 /nfs/dbraw/zinc/10/99/97/553109997.db2.gz RYWMYIPGWNLJAT-SUMWQHHRSA-N 1 1 379.913 2.849 20 30 GFEDMO O=C(C[C@H]1CCCS(=O)(=O)C1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000328899749 563468317 /nfs/dbraw/zinc/46/83/17/563468317.db2.gz ZCLGZGBJWRHOIE-MRXNPFEDSA-N 1 1 388.599 2.910 20 30 GFEDMO CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)s1 ZINC000329309354 563478071 /nfs/dbraw/zinc/47/80/71/563478071.db2.gz ZBUOAKRKGMPMIJ-MBNYWOFBSA-N 1 1 386.543 2.777 20 30 GFEDMO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000329979438 563492605 /nfs/dbraw/zinc/49/26/05/563492605.db2.gz JOIMNJZNXJIUSD-CQSZACIVSA-N 1 1 390.285 2.960 20 30 GFEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)[C@@H](C)C1 ZINC000331193226 563539184 /nfs/dbraw/zinc/53/91/84/563539184.db2.gz RWGHUDRLUOGMKP-QWRGUYRKSA-N 1 1 377.819 2.874 20 30 GFEDMO N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000331887063 563565553 /nfs/dbraw/zinc/56/55/53/563565553.db2.gz DUULKHXTAXKQBU-GFCCVEGCSA-N 1 1 398.326 2.616 20 30 GFEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c1 ZINC000411969743 563642760 /nfs/dbraw/zinc/64/27/60/563642760.db2.gz QTUWLAQJHGVURN-LJQANCHMSA-N 1 1 384.277 2.950 20 30 GFEDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000289902539 563690737 /nfs/dbraw/zinc/69/07/37/563690737.db2.gz PTXVEUCCFVLQBI-AWEZNQCLSA-N 1 1 375.416 2.682 20 30 GFEDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2C#N)[C@H]1c1cccs1 ZINC000363166849 563715602 /nfs/dbraw/zinc/71/56/02/563715602.db2.gz YTXZSIIWHVXICU-PXAZEXFGSA-N 1 1 379.482 2.730 20 30 GFEDMO CC(C)C[C@@H](CNC(=O)c1cccc(C#N)c1Br)[NH+]1CCOCC1 ZINC000448633290 563899063 /nfs/dbraw/zinc/89/90/63/563899063.db2.gz NRNQNHMHIVCQNV-HNNXBMFYSA-N 1 1 394.313 2.797 20 30 GFEDMO CC[N@H+]1CCC[C@@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449813283 564202791 /nfs/dbraw/zinc/20/27/91/564202791.db2.gz GZHSFBZJDBZHIC-ZDUSSCGKSA-N 1 1 380.286 2.548 20 30 GFEDMO Cc1[nH+]ccn1CCCCNC(=O)COc1cccc(Br)c1C#N ZINC000449933421 564209818 /nfs/dbraw/zinc/20/98/18/564209818.db2.gz AXNVBNDHXIBLNB-UHFFFAOYSA-N 1 1 391.269 2.801 20 30 GFEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)COc2cccc(Br)c2C#N)C1 ZINC000449992265 564212410 /nfs/dbraw/zinc/21/24/10/564212410.db2.gz XLPZZEGAOWRDJY-CQSZACIVSA-N 1 1 394.313 2.890 20 30 GFEDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450026232 564213805 /nfs/dbraw/zinc/21/38/05/564213805.db2.gz VOWJXNJGRYYHNQ-CQSZACIVSA-N 1 1 380.286 2.642 20 30 GFEDMO N#Cc1c(Br)cccc1OCC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000451202093 564286118 /nfs/dbraw/zinc/28/61/18/564286118.db2.gz LXJDSHBRNIPZCQ-CQSZACIVSA-N 1 1 392.297 2.833 20 30 GFEDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000510968565 564351893 /nfs/dbraw/zinc/35/18/93/564351893.db2.gz PNVPXOXGCHTXSG-ZDUSSCGKSA-N 1 1 375.416 2.730 20 30 GFEDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)COc3ccc(C#N)c(Br)c3)C2)C1 ZINC000452152271 564397284 /nfs/dbraw/zinc/39/72/84/564397284.db2.gz OYZOPSXAVIUJAY-GOSISDBHSA-N 1 1 392.297 2.644 20 30 GFEDMO C=CCOc1c(Br)cc(CNC[C@]2(O)CC[N@@H+](C)C2)cc1OCC ZINC000545859259 564434430 /nfs/dbraw/zinc/43/44/30/564434430.db2.gz PWCBERWHWZTWCG-GOSISDBHSA-N 1 1 399.329 2.569 20 30 GFEDMO C=CCOc1c(Br)cc(C[NH2+]C[C@]2(O)CCN(C)C2)cc1OCC ZINC000545859259 564434431 /nfs/dbraw/zinc/43/44/31/564434431.db2.gz PWCBERWHWZTWCG-GOSISDBHSA-N 1 1 399.329 2.569 20 30 GFEDMO CC(C)N(CCC#N)C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000525972116 564714266 /nfs/dbraw/zinc/71/42/66/564714266.db2.gz TYPOZTQDJOTBCA-UHFFFAOYSA-N 1 1 395.301 2.600 20 30 GFEDMO Cc1ccc(Br)c(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000576749202 564718515 /nfs/dbraw/zinc/71/85/15/564718515.db2.gz OYZPKXFQGCACLU-UHFFFAOYSA-N 1 1 394.294 2.588 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(F)cc1 ZINC000553912606 564745261 /nfs/dbraw/zinc/74/52/61/564745261.db2.gz RIEMAQRUDFSDPK-INIZCTEOSA-N 1 1 381.860 2.932 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000459663703 564755806 /nfs/dbraw/zinc/75/58/06/564755806.db2.gz XZIATIYZHVFANU-CYBMUJFWSA-N 1 1 398.301 2.544 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000459663703 564755808 /nfs/dbraw/zinc/75/58/08/564755808.db2.gz XZIATIYZHVFANU-CYBMUJFWSA-N 1 1 398.301 2.544 20 30 GFEDMO CC[N@H+](CCNS(=O)(=O)c1cc(C#N)ccc1Cl)CCC(F)(F)F ZINC000494407455 564828579 /nfs/dbraw/zinc/82/85/79/564828579.db2.gz TUXDMKZQHCMFTM-UHFFFAOYSA-N 1 1 383.823 2.764 20 30 GFEDMO CC[N@@H+](CCNS(=O)(=O)c1cc(C#N)ccc1Cl)CCC(F)(F)F ZINC000494407455 564828584 /nfs/dbraw/zinc/82/85/84/564828584.db2.gz TUXDMKZQHCMFTM-UHFFFAOYSA-N 1 1 383.823 2.764 20 30 GFEDMO CC[N@H+](CCNS(=O)(=O)c1ccc(Cl)cc1C#N)CCC(F)(F)F ZINC000494405730 564828612 /nfs/dbraw/zinc/82/86/12/564828612.db2.gz NLOWTJACOMZZGI-UHFFFAOYSA-N 1 1 383.823 2.764 20 30 GFEDMO CC[N@@H+](CCNS(=O)(=O)c1ccc(Cl)cc1C#N)CCC(F)(F)F ZINC000494405730 564828615 /nfs/dbraw/zinc/82/86/15/564828615.db2.gz NLOWTJACOMZZGI-UHFFFAOYSA-N 1 1 383.823 2.764 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000557555019 564867004 /nfs/dbraw/zinc/86/70/04/564867004.db2.gz QQTYXRVAGFKNQE-CQSZACIVSA-N 1 1 383.945 2.907 20 30 GFEDMO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000498849231 564910426 /nfs/dbraw/zinc/91/04/26/564910426.db2.gz HIRRCRUQDGBTKR-FUHWJXTLSA-N 1 1 375.881 2.588 20 30 GFEDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000498849231 564910429 /nfs/dbraw/zinc/91/04/29/564910429.db2.gz HIRRCRUQDGBTKR-FUHWJXTLSA-N 1 1 375.881 2.588 20 30 GFEDMO COc1ccc(Br)cc1C1([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000592137501 565260530 /nfs/dbraw/zinc/26/05/30/565260530.db2.gz CSGHZNRZXWAIDD-KRWDZBQOSA-N 1 1 392.297 2.845 20 30 GFEDMO C[N@H+]1CCCC12CCN(C(=O)Cc1ccc(Br)cc1C#N)CC2 ZINC000593579219 565343970 /nfs/dbraw/zinc/34/39/70/565343970.db2.gz VSWYCSOIRSFCGL-UHFFFAOYSA-N 1 1 376.298 2.950 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000594754665 565415026 /nfs/dbraw/zinc/41/50/26/565415026.db2.gz NOIOFNJCRNWZOX-HNNXBMFYSA-N 1 1 375.519 2.844 20 30 GFEDMO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000594788962 565421092 /nfs/dbraw/zinc/42/10/92/565421092.db2.gz HBXNTCZZZCVSKH-GFCCVEGCSA-N 1 1 375.416 2.728 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000594788962 565421096 /nfs/dbraw/zinc/42/10/96/565421096.db2.gz HBXNTCZZZCVSKH-GFCCVEGCSA-N 1 1 375.416 2.728 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000597859394 565578800 /nfs/dbraw/zinc/57/88/00/565578800.db2.gz DFVJDHKFXZNBQE-ZDUSSCGKSA-N 1 1 394.313 2.936 20 30 GFEDMO Cc1cc(N2CC[C@@H]([NH2+]Cc3cccc(C#N)n3)C2=O)ccc1Br ZINC000602618837 565857986 /nfs/dbraw/zinc/85/79/86/565857986.db2.gz UMKYEJFXPSHFCO-QGZVFWFLSA-N 1 1 385.265 2.919 20 30 GFEDMO COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000737035623 598985130 /nfs/dbraw/zinc/98/51/30/598985130.db2.gz WBDZBWNGFLUSEX-UHFFFAOYSA-N 1 1 390.447 2.790 20 30 GFEDMO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000819743178 599678589 /nfs/dbraw/zinc/67/85/89/599678589.db2.gz DVRRWZLNWIPYGQ-YQQQUEKLSA-N 1 1 395.511 2.580 20 30 GFEDMO C[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)[C@@H](C)CN1Cc1cccc(C#N)c1 ZINC000826232467 607555246 /nfs/dbraw/zinc/55/52/46/607555246.db2.gz NZLDSXBTOKNSKM-SJORKVTESA-N 1 1 387.491 2.833 20 30 GFEDMO CC(C)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000820087700 606888654 /nfs/dbraw/zinc/88/86/54/606888654.db2.gz XIKIARSORUIQPB-FQEVSTJZSA-N 1 1 376.464 2.930 20 30 GFEDMO C#CC[N@H+](Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)[C@@H]1CCc2ccccc21 ZINC000823850570 607921044 /nfs/dbraw/zinc/92/10/44/607921044.db2.gz RLYMJEHNOQVJGY-LJQANCHMSA-N 1 1 387.443 2.776 20 30 GFEDMO C[C@H]1CC(N=Nc2cc(-c3nn[nH]n3)cc(Cl)n2)C[N@H+]1Cc1ccccc1 ZINC000824857445 608537122 /nfs/dbraw/zinc/53/71/22/608537122.db2.gz BULNJROSCHGTRB-LBPRGKRZSA-N 1 1 382.859 2.977 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(I)cc1Cl ZINC000818588809 660229154 /nfs/dbraw/zinc/22/91/54/660229154.db2.gz HOLSRLQHZCPTSR-UHFFFAOYSA-N 1 1 390.652 2.630 20 30 GFEDMO COC(=O)C1(C#N)CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000831687901 660719841 /nfs/dbraw/zinc/71/98/41/660719841.db2.gz ZHZQDMIPASDFHK-CYBMUJFWSA-N 1 1 387.263 2.512 20 30 GFEDMO C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000071081564 654999030 /nfs/dbraw/zinc/99/90/30/654999030.db2.gz SRTQLSOFYXQIHL-CQSZACIVSA-N 1 1 375.881 2.893 20 30 GFEDMO N#Cc1cccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1Br ZINC000580035183 655507140 /nfs/dbraw/zinc/50/71/40/655507140.db2.gz NKMQGNRWTVGXHB-HOTGVXAUSA-N 1 1 392.297 2.694 20 30 GFEDMO CN1CCC([N@H+]2CC[C@@H](NC(=S)Nc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000732722303 655600777 /nfs/dbraw/zinc/60/07/77/655600777.db2.gz YZVUZCQEXIXAJY-OAHLLOKOSA-N 1 1 377.945 2.667 20 30 GFEDMO C[NH+]1CCC(N2CC[C@@H](NC(=S)Nc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000732722303 655600779 /nfs/dbraw/zinc/60/07/79/655600779.db2.gz YZVUZCQEXIXAJY-OAHLLOKOSA-N 1 1 377.945 2.667 20 30 GFEDMO C[NH+]1CCC(C/N=C\c2cc(Cl)cc(Cl)c2O)(N2CCOCC2)CC1 ZINC000840711474 661177287 /nfs/dbraw/zinc/17/72/87/661177287.db2.gz RAWUKAPTTMKCLH-MTJSOVHGSA-N 1 1 386.323 2.915 20 30 GFEDMO C#CCC[NH+]1CCN([C@H](C(=O)OCC)c2ccc(Br)cc2F)CC1 ZINC000776593097 656764466 /nfs/dbraw/zinc/76/44/66/656764466.db2.gz QZZVAAUHQPNFJH-KRWDZBQOSA-N 1 1 397.288 2.833 20 30 GFEDMO N#Cc1ccncc1N1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000795043297 658653599 /nfs/dbraw/zinc/65/35/99/658653599.db2.gz QDZLCZOXYMYLOJ-SFHVURJKSA-N 1 1 387.281 2.571 20 30 GFEDMO Cn1cc[nH+]c1N1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000799321226 659180139 /nfs/dbraw/zinc/18/01/39/659180139.db2.gz WANKUOMXZBJKEX-UHFFFAOYSA-N 1 1 397.280 2.929 20 30 GFEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC000801715277 659419099 /nfs/dbraw/zinc/41/90/99/659419099.db2.gz CRGXAKSPNLPIFJ-INIZCTEOSA-N 1 1 381.860 2.932 20 30 GFEDMO C[C@H](C#N)OCC[N@@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000801947789 659435896 /nfs/dbraw/zinc/43/58/96/659435896.db2.gz CYQNCXJSOVRWRR-CYBMUJFWSA-N 1 1 385.302 2.959 20 30 GFEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1N=Nc1ncc(Br)cn1 ZINC000848420426 661646589 /nfs/dbraw/zinc/64/65/89/661646589.db2.gz ATOCCMBZHOKDBE-LBPRGKRZSA-N 1 1 375.274 2.944 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC000858493411 662113404 /nfs/dbraw/zinc/11/34/04/662113404.db2.gz UFHKWYVHHUIKKP-UHFFFAOYSA-N 1 1 382.277 2.611 20 30 GFEDMO C#CC[N@@H+](C[C@@H](O)CC1(O)CCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000859140174 662140372 /nfs/dbraw/zinc/14/03/72/662140372.db2.gz KSSICNIZMYVUEK-DOTOQJQBSA-N 1 1 394.309 2.874 20 30 GFEDMO C#CC[N@H+](C[C@@H](O)CC1(O)CCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000859140174 662140375 /nfs/dbraw/zinc/14/03/75/662140375.db2.gz KSSICNIZMYVUEK-DOTOQJQBSA-N 1 1 394.309 2.874 20 30 GFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2ncc(C#N)cc2Br)CC1 ZINC000881875916 663007571 /nfs/dbraw/zinc/00/75/71/663007571.db2.gz AACVIMFKSAOZBY-GASCZTMLSA-N 1 1 392.345 2.711 20 30 GFEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2nc(Cl)c(C#N)s2)[C@@H](C)C1 ZINC000888412475 663195832 /nfs/dbraw/zinc/19/58/32/663195832.db2.gz LJROTKZKMPKCRK-NWDGAFQWSA-N 1 1 385.921 2.927 20 30 GFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1csc(C#N)c1 ZINC000914374956 664404451 /nfs/dbraw/zinc/40/44/51/664404451.db2.gz ROIBMVPMWGMLEG-RDTXWAMCSA-N 1 1 375.519 2.560 20 30 GFEDMO C#CCOc1ccc(Br)cc1CNC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000920957197 664534818 /nfs/dbraw/zinc/53/48/18/664534818.db2.gz OEKGRFDAEHCYSA-GOSISDBHSA-N 1 1 395.341 2.908 20 30 GFEDMO C#CCOc1ccc(Br)cc1CNC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000920957197 664534821 /nfs/dbraw/zinc/53/48/21/664534821.db2.gz OEKGRFDAEHCYSA-GOSISDBHSA-N 1 1 395.341 2.908 20 30 GFEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)[C@@H](c3ccc(Br)s3)N(C)C2=O)C1 ZINC000925325974 664670461 /nfs/dbraw/zinc/67/04/61/664670461.db2.gz OVGYNDICGRCYMW-SMDDNHRTSA-N 1 1 396.310 2.543 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)[C@@H](c3ccc(Br)s3)N(C)C2=O)C1 ZINC000925325974 664670463 /nfs/dbraw/zinc/67/04/63/664670463.db2.gz OVGYNDICGRCYMW-SMDDNHRTSA-N 1 1 396.310 2.543 20 30 GFEDMO N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928075486 664721834 /nfs/dbraw/zinc/72/18/34/664721834.db2.gz CXZPWHPZVXSGCY-HZPDHXFCSA-N 1 1 394.338 2.559 20 30 GFEDMO N#Cc1c(Cl)ccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743316 720818573 /nfs/dbraw/zinc/81/85/73/720818573.db2.gz SDSBIZGSWCNFOE-JTDSTZFVSA-N 1 1 397.914 2.578 20 30 GFEDMO N#Cc1cc(Cl)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164741293 720823866 /nfs/dbraw/zinc/82/38/66/720823866.db2.gz NIICSZAZLCGFQQ-AYOQOUSVSA-N 1 1 397.914 2.578 20 30 GFEDMO C=CCNC(=O)c1cccnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164859718 721001596 /nfs/dbraw/zinc/00/15/96/721001596.db2.gz LUBNSDMZAWSPLK-INIZCTEOSA-N 1 1 382.512 2.615 20 30 GFEDMO C=CCOc1cc(C)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164910280 721535867 /nfs/dbraw/zinc/53/58/67/721535867.db2.gz UBBSISOZSBDZKQ-IEBWSBKVSA-N 1 1 384.455 2.831 20 30 GFEDMO N#Cc1cc2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ccc2[nH]1 ZINC001164984598 722137854 /nfs/dbraw/zinc/13/78/54/722137854.db2.gz XMWZYFJOQQWMHB-UWJYYQICSA-N 1 1 388.475 2.557 20 30 GFEDMO N#Cc1cc(Br)cc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000155114401 551491556 /nfs/dbraw/zinc/49/15/56/551491556.db2.gz DPNNYWRVIWKYOV-UHFFFAOYSA-N 1 1 398.326 2.570 20 30 GFEDMO CCOC(=O)CCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181437863 552256641 /nfs/dbraw/zinc/25/66/41/552256641.db2.gz CPMVVOOIIYBWTR-QGZVFWFLSA-N 1 1 394.313 2.975 20 30 GFEDMO C[S@@](=O)C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000183090461 552299799 /nfs/dbraw/zinc/29/97/99/552299799.db2.gz RBJWARQQVRNZQO-SSOJOUAXSA-N 1 1 375.881 2.860 20 30 GFEDMO C[S@](=O)C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000183114349 552300983 /nfs/dbraw/zinc/30/09/83/552300983.db2.gz NVPVFSRTHRQZCE-NSYGIPOTSA-N 1 1 375.881 2.860 20 30 GFEDMO Cc1oc(NC(=O)C[NH2+][C@H](CO)c2cccc(Br)c2)c(C#N)c1C ZINC000183917750 552322628 /nfs/dbraw/zinc/32/26/28/552322628.db2.gz WKBUEYKHLMJFDR-OAHLLOKOSA-N 1 1 392.253 2.792 20 30 GFEDMO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000248504525 553130682 /nfs/dbraw/zinc/13/06/82/553130682.db2.gz VSNIRNSATUGKHX-WMLDXEAASA-N 1 1 379.913 2.849 20 30 GFEDMO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000369540772 563216700 /nfs/dbraw/zinc/21/67/00/563216700.db2.gz QERFWUPAAMZRTK-MAUKXSAKSA-N 1 1 375.519 2.900 20 30 GFEDMO CN1C(=O)CSC12CC[NH+](Cc1cc(C#N)ccc1Br)CC2 ZINC000372812032 563319019 /nfs/dbraw/zinc/31/90/19/563319019.db2.gz NLMCMJDCFWZDEE-UHFFFAOYSA-N 1 1 380.311 2.818 20 30 GFEDMO N#Cc1cccc(NC(=O)C[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC000374009314 563358340 /nfs/dbraw/zinc/35/83/40/563358340.db2.gz AVDODTOVSANXCB-UHFFFAOYSA-N 1 1 388.269 2.793 20 30 GFEDMO C[C@@H](CNc1c(C#N)cnc2c(Br)cccc21)[NH+]1CCN(C)CC1 ZINC000281606245 563380788 /nfs/dbraw/zinc/38/07/88/563380788.db2.gz IQRGDILLFPDZTE-ZDUSSCGKSA-N 1 1 388.313 2.917 20 30 GFEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000282022314 563394354 /nfs/dbraw/zinc/39/43/54/563394354.db2.gz KJNAPIOBGAHFIG-YOEHRIQHSA-N 1 1 380.286 2.917 20 30 GFEDMO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429023236 563507597 /nfs/dbraw/zinc/50/75/97/563507597.db2.gz UJLMRXTUESNHRU-ZDUSSCGKSA-N 1 1 398.257 2.783 20 30 GFEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000383095350 563516523 /nfs/dbraw/zinc/51/65/23/563516523.db2.gz YWPQQPJFKSGFQA-OAHLLOKOSA-N 1 1 375.519 2.905 20 30 GFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000383095350 563516525 /nfs/dbraw/zinc/51/65/25/563516525.db2.gz YWPQQPJFKSGFQA-OAHLLOKOSA-N 1 1 375.519 2.905 20 30 GFEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Br)c(F)c1 ZINC000331291361 563544290 /nfs/dbraw/zinc/54/42/90/563544290.db2.gz KQZDGYJWBXZHPV-NSHDSACASA-N 1 1 388.281 2.911 20 30 GFEDMO C=CC[NH+]1CCC(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000287447517 563601689 /nfs/dbraw/zinc/60/16/89/563601689.db2.gz DEXTXJAZCPAPSF-UHFFFAOYSA-N 1 1 384.929 2.659 20 30 GFEDMO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000289010281 563664546 /nfs/dbraw/zinc/66/45/46/563664546.db2.gz NCXMHBZFRKUTPG-OKILXGFUSA-N 1 1 375.416 2.780 20 30 GFEDMO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000289010281 563664548 /nfs/dbraw/zinc/66/45/48/563664548.db2.gz NCXMHBZFRKUTPG-OKILXGFUSA-N 1 1 375.416 2.780 20 30 GFEDMO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000365505927 563785390 /nfs/dbraw/zinc/78/53/90/563785390.db2.gz FYHFDOHBHRCLDD-YJBOKZPZSA-N 1 1 375.519 2.900 20 30 GFEDMO C=CC[N@@H+](CCOC)Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449281162 564178868 /nfs/dbraw/zinc/17/88/68/564178868.db2.gz BUXLWJWBOFHBIL-CYBMUJFWSA-N 1 1 385.302 2.597 20 30 GFEDMO C=CC[N@H+](CCOC)Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449281162 564178870 /nfs/dbraw/zinc/17/88/70/564178870.db2.gz BUXLWJWBOFHBIL-CYBMUJFWSA-N 1 1 385.302 2.597 20 30 GFEDMO CCC[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[N@@H+]1CCOC ZINC000450325207 564227468 /nfs/dbraw/zinc/22/74/68/564227468.db2.gz SQOHVICPVODXND-HNNXBMFYSA-N 1 1 394.313 2.894 20 30 GFEDMO CCC[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[N@H+]1CCOC ZINC000450325207 564227470 /nfs/dbraw/zinc/22/74/70/564227470.db2.gz SQOHVICPVODXND-HNNXBMFYSA-N 1 1 394.313 2.894 20 30 GFEDMO N#CC1(F)CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000510955226 564351127 /nfs/dbraw/zinc/35/11/27/564351127.db2.gz ZUWVKEOQXZJVRY-ZDUSSCGKSA-N 1 1 375.213 2.656 20 30 GFEDMO CC#CCCCC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456590532 564619831 /nfs/dbraw/zinc/61/98/31/564619831.db2.gz ORUYLGDACWOUAI-UHFFFAOYSA-N 1 1 379.302 2.728 20 30 GFEDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000462670389 564853906 /nfs/dbraw/zinc/85/39/06/564853906.db2.gz YNMLRENUGAITPB-CYBMUJFWSA-N 1 1 375.416 2.539 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(F)cc1 ZINC000557849588 564881854 /nfs/dbraw/zinc/88/18/54/564881854.db2.gz KAONJOSXUPPHOA-MRXNPFEDSA-N 1 1 381.860 2.932 20 30 GFEDMO C[N@@H+]1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000498849232 564910661 /nfs/dbraw/zinc/91/06/61/564910661.db2.gz HIRRCRUQDGBTKR-SJLPKXTDSA-N 1 1 375.881 2.588 20 30 GFEDMO C[N@H+]1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000498849232 564910667 /nfs/dbraw/zinc/91/06/67/564910667.db2.gz HIRRCRUQDGBTKR-SJLPKXTDSA-N 1 1 375.881 2.588 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000558709816 564912276 /nfs/dbraw/zinc/91/22/76/564912276.db2.gz KLSRWDDFEZVPHD-SFHVURJKSA-N 1 1 377.897 2.934 20 30 GFEDMO CC[C@H](CNS(=O)(=O)c1ccsc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000593531562 565337576 /nfs/dbraw/zinc/33/75/76/565337576.db2.gz PLNROUBIHWUEJR-MRXNPFEDSA-N 1 1 375.519 2.735 20 30 GFEDMO CC[C@H](CNS(=O)(=O)c1ccsc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000593531562 565337577 /nfs/dbraw/zinc/33/75/77/565337577.db2.gz PLNROUBIHWUEJR-MRXNPFEDSA-N 1 1 375.519 2.735 20 30 GFEDMO Cc1ccc2c(ncc(C#N)c2N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1Br ZINC000619485439 565343418 /nfs/dbraw/zinc/34/34/18/565343418.db2.gz UOAADYTUWUSCTJ-HUUCEWRRSA-N 1 1 387.281 2.697 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](C)C[C@H]2COCCO2)cc1OC ZINC000668543115 565654611 /nfs/dbraw/zinc/65/46/11/565654611.db2.gz SQQNLRDTKVGSMV-AWEZNQCLSA-N 1 1 386.286 2.870 20 30 GFEDMO Cc1[nH+]c2c(n1CCO)CC[C@@H](Nc1cc(Br)c(C#N)cc1F)C2 ZINC000601184064 565770748 /nfs/dbraw/zinc/77/07/48/565770748.db2.gz JXMMGQMNYGBEGE-GFCCVEGCSA-N 1 1 393.260 2.927 20 30 GFEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000611431939 566129254 /nfs/dbraw/zinc/12/92/54/566129254.db2.gz DHSRKFMXXUUMEN-KSSFIOAISA-N 1 1 386.323 2.899 20 30 GFEDMO N#Cc1c(Cl)cccc1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822818911 599284742 /nfs/dbraw/zinc/28/47/42/599284742.db2.gz IPBBWDREWSYASD-UHFFFAOYSA-N 1 1 379.855 2.714 20 30 GFEDMO C=CCCC[C@@H](C)[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000823894520 608383681 /nfs/dbraw/zinc/38/36/81/608383681.db2.gz SAVFCEMGIHCDQK-CQSZACIVSA-N 1 1 383.456 2.982 20 30 GFEDMO N#CCNC(=O)C[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000123960204 654767046 /nfs/dbraw/zinc/76/70/46/654767046.db2.gz ASOWBKAULRCKMW-KRWDZBQOSA-N 1 1 376.229 2.907 20 30 GFEDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1C ZINC000266232255 654865110 /nfs/dbraw/zinc/86/51/10/654865110.db2.gz UQWWGZSTBNBGPI-WCQYABFASA-N 1 1 375.416 2.680 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)/C=C/c2cccc(Br)c2)CC1 ZINC000171536583 655152326 /nfs/dbraw/zinc/15/23/26/655152326.db2.gz QYUPWFOHBIXWRY-XYOKQWHBSA-N 1 1 385.327 2.990 20 30 GFEDMO C[NH+]=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)NC1CCCC1 ZINC000171613660 655152917 /nfs/dbraw/zinc/15/29/17/655152917.db2.gz KUUMWTBITUXCRY-UHFFFAOYSA-N 1 1 377.290 2.842 20 30 GFEDMO C[NH+]=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)NC1CCCC1 ZINC000171613660 655152919 /nfs/dbraw/zinc/15/29/19/655152919.db2.gz KUUMWTBITUXCRY-UHFFFAOYSA-N 1 1 377.290 2.842 20 30 GFEDMO C#CCO[C@@H](C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000839943699 661119659 /nfs/dbraw/zinc/11/96/59/661119659.db2.gz YDZLUZKQPUKGTJ-AWEZNQCLSA-N 1 1 379.298 2.568 20 30 GFEDMO COc1ccc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c(Br)c1 ZINC000575911196 655439822 /nfs/dbraw/zinc/43/98/22/655439822.db2.gz AEUANLOCVTVUHH-UHFFFAOYSA-N 1 1 378.274 2.530 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000729808994 655568713 /nfs/dbraw/zinc/56/87/13/655568713.db2.gz IBUJRTHTGWFBFG-OCCSQVGLSA-N 1 1 384.245 2.996 20 30 GFEDMO Fc1cc(Br)cc2c1OCCC2=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753939841 655861194 /nfs/dbraw/zinc/86/11/94/655861194.db2.gz RGNOQUBGIQZOKW-KBPBESRZSA-N 1 1 381.249 2.935 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000793140246 658362583 /nfs/dbraw/zinc/36/25/83/658362583.db2.gz KOJPDTSTKRYPMQ-GFCCVEGCSA-N 1 1 381.226 2.920 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000793140246 658362594 /nfs/dbraw/zinc/36/25/94/658362594.db2.gz KOJPDTSTKRYPMQ-GFCCVEGCSA-N 1 1 381.226 2.920 20 30 GFEDMO Cn1c(CC#N)nn(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c1=S ZINC000794626751 658581174 /nfs/dbraw/zinc/58/11/74/658581174.db2.gz VQHCBQYWTOCJIU-UHFFFAOYSA-N 1 1 377.901 2.924 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc(Br)cnc1OCC1CC1 ZINC000796988611 658958137 /nfs/dbraw/zinc/95/81/37/658958137.db2.gz KLWRJFIHMBLRBI-HNNXBMFYSA-N 1 1 393.281 2.887 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc(Br)cnc1OCC1CC1 ZINC000796988611 658958168 /nfs/dbraw/zinc/95/81/68/658958168.db2.gz KLWRJFIHMBLRBI-HNNXBMFYSA-N 1 1 393.281 2.887 20 30 GFEDMO FC(F)Oc1ccc(Br)c(C=NNCCC[NH+]2CCOCC2)c1 ZINC000842531710 661343399 /nfs/dbraw/zinc/34/33/99/661343399.db2.gz KBOKEKXRXPNOBC-UHFFFAOYSA-N 1 1 392.244 2.696 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1c2ccc(Br)cc2nn1C ZINC000842710567 661350428 /nfs/dbraw/zinc/35/04/28/661350428.db2.gz OLKWCDOUKLTDCG-CYBMUJFWSA-N 1 1 376.254 2.590 20 30 GFEDMO CC(=NNCCC[NH+]1CCOCC1)c1cc(F)c(Br)cc1F ZINC000863111280 662312035 /nfs/dbraw/zinc/31/20/35/662312035.db2.gz VHCDMIPBEDFDJI-UHFFFAOYSA-N 1 1 376.245 2.763 20 30 GFEDMO COCO[C@@H](C)c1cc(F)c(C=NNC2=[NH+]C[C@H](C)N2)cc1Br ZINC000863104657 662312086 /nfs/dbraw/zinc/31/20/86/662312086.db2.gz CPPZNTFRJXFFSD-UWVGGRQHSA-N 1 1 387.253 2.541 20 30 GFEDMO C#C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)c1ccc(Br)cc1 ZINC000868658140 662613971 /nfs/dbraw/zinc/61/39/71/662613971.db2.gz PJGQOJVCICSPHH-BHYGNILZSA-N 1 1 376.298 2.859 20 30 GFEDMO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](CCCF)CC1 ZINC000869113310 662629345 /nfs/dbraw/zinc/62/93/45/662629345.db2.gz OZLYRFGGLMXQCL-CQSZACIVSA-N 1 1 377.888 2.526 20 30 GFEDMO COc1ccc(Br)c([C@H](CO)[N@H+](C)C[C@H](O)CC2(C#N)CCC2)c1 ZINC000886228899 663105292 /nfs/dbraw/zinc/10/52/92/663105292.db2.gz HPINOFZTLPLFTH-DYVFJYSZSA-N 1 1 397.313 2.868 20 30 GFEDMO COc1ccc(Br)c([C@H](CO)[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)c1 ZINC000886228899 663105294 /nfs/dbraw/zinc/10/52/94/663105294.db2.gz HPINOFZTLPLFTH-DYVFJYSZSA-N 1 1 397.313 2.868 20 30 GFEDMO C#CC[C@H](CO)NC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000921905532 664575432 /nfs/dbraw/zinc/57/54/32/664575432.db2.gz NWASWLIWRVXCMD-QGZVFWFLSA-N 1 1 384.307 2.641 20 30 GFEDMO CC(C)OC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941276 664843418 /nfs/dbraw/zinc/84/34/18/664843418.db2.gz LEYVFBSMNTVMIS-LPEHRKFASA-N 1 1 385.295 2.875 20 30 GFEDMO CCN(CC)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946109 664844287 /nfs/dbraw/zinc/84/42/87/664844287.db2.gz MZXLXSSOGNUDJV-DTORHVGOSA-N 1 1 382.295 2.958 20 30 GFEDMO CCN(CC)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946109 664844289 /nfs/dbraw/zinc/84/42/89/664844289.db2.gz MZXLXSSOGNUDJV-DTORHVGOSA-N 1 1 382.295 2.958 20 30 GFEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C ZINC001047568918 665077145 /nfs/dbraw/zinc/07/71/45/665077145.db2.gz JHWYUFGAOVLKQK-YVECIDJPSA-N 1 1 381.933 2.705 20 30 GFEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc(Cl)c3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836107 720520211 /nfs/dbraw/zinc/52/02/11/720520211.db2.gz MPUAPGZFGIWROH-HLLBOEOZSA-N 1 1 385.903 2.576 20 30 GFEDMO C=CCOc1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164837991 720548286 /nfs/dbraw/zinc/54/82/86/720548286.db2.gz NCXSPEAJCUXMNU-XUVXKRRUSA-N 1 1 396.539 2.924 20 30 GFEDMO COc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(F)cc1C#N ZINC001164837140 720594441 /nfs/dbraw/zinc/59/44/41/720594441.db2.gz HETUQBSWSROIIB-YQVWRLOYSA-N 1 1 398.486 2.675 20 30 GFEDMO COc1nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1C#N ZINC001164843626 720674358 /nfs/dbraw/zinc/67/43/58/720674358.db2.gz WNMOVZVEHYLJGT-IBGZPJMESA-N 1 1 393.491 2.617 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc5c(c4C#N)CCCC5)C[C@H]3C2)cn1 ZINC001164766768 721243439 /nfs/dbraw/zinc/24/34/39/721243439.db2.gz VIYWWRPITILFFT-RTBURBONSA-N 1 1 376.508 2.524 20 30 GFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(C)c1C#N)CC2 ZINC001164785223 721451959 /nfs/dbraw/zinc/45/19/59/721451959.db2.gz HKRIKIVZMCRLEZ-HXUWFJFHSA-N 1 1 398.551 2.996 20 30 GFEDMO N#Cc1c[nH]c2nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)ccc12 ZINC001164905864 721538931 /nfs/dbraw/zinc/53/89/31/721538931.db2.gz JJNRLZGCAKANKB-WMZOPIPTSA-N 1 1 377.423 2.916 20 30 GFEDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1c(F)cc(Br)cc1F ZINC000331324707 563545893 /nfs/dbraw/zinc/54/58/93/563545893.db2.gz MGEGIGCMHXAMBU-LLVKDONJSA-N 1 1 377.229 2.879 20 30 GFEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000026324339 551121230 /nfs/dbraw/zinc/12/12/30/551121230.db2.gz STUKFMCEALKGFA-UHFFFAOYSA-N 1 1 383.249 2.961 20 30 GFEDMO N#CCSCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000126878614 551333894 /nfs/dbraw/zinc/33/38/94/551333894.db2.gz ONVAHRFEWWHVLD-UHFFFAOYSA-N 1 1 382.327 2.786 20 30 GFEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H](O)C(F)(F)F ZINC000181254463 552251095 /nfs/dbraw/zinc/25/10/95/552251095.db2.gz ZBTUYOYGTBEFLA-ZDUSSCGKSA-N 1 1 375.416 2.682 20 30 GFEDMO C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000183056908 552298967 /nfs/dbraw/zinc/29/89/67/552298967.db2.gz FZUNYKUTSKLMLK-HNNXBMFYSA-N 1 1 375.881 2.893 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(F)cc1 ZINC000183521621 552311670 /nfs/dbraw/zinc/31/16/70/552311670.db2.gz HEHQYCOMLFPGMF-INIZCTEOSA-N 1 1 381.860 2.932 20 30 GFEDMO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000187041644 552404669 /nfs/dbraw/zinc/40/46/69/552404669.db2.gz BYRKOJZYFBRSBV-UHFFFAOYSA-N 1 1 379.869 2.953 20 30 GFEDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccccc1 ZINC000248473985 553130762 /nfs/dbraw/zinc/13/07/62/553130762.db2.gz LOEJMAAITIBKHQ-FUHWJXTLSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccccc1 ZINC000248473985 553130763 /nfs/dbraw/zinc/13/07/63/553130763.db2.gz LOEJMAAITIBKHQ-FUHWJXTLSA-N 1 1 375.881 2.935 20 30 GFEDMO COc1c(Br)cccc1C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373486566 563340151 /nfs/dbraw/zinc/34/01/51/563340151.db2.gz SHZKHOXSSZWBDC-UHFFFAOYSA-N 1 1 376.258 2.758 20 30 GFEDMO C=CC[NH+]1CCC(N[C@@H](CC)c2ccc(Cl)c(S(=O)(=O)NC)c2)CC1 ZINC000280952661 563362305 /nfs/dbraw/zinc/36/23/05/563362305.db2.gz UDKRESZGKMYTIN-KRWDZBQOSA-N 1 1 385.961 2.939 20 30 GFEDMO COCCC[N@H+]1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000376618746 563448996 /nfs/dbraw/zinc/44/89/96/563448996.db2.gz PPSYLJCJJMRBHZ-UHFFFAOYSA-N 1 1 395.301 2.897 20 30 GFEDMO COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000330577381 563511758 /nfs/dbraw/zinc/51/17/58/563511758.db2.gz RNFGFXHFKBYNSS-QWRGUYRKSA-N 1 1 376.284 2.934 20 30 GFEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(F)c(Br)c1 ZINC000331297486 563544296 /nfs/dbraw/zinc/54/42/96/563544296.db2.gz OVEURJJOIGXTPU-NSHDSACASA-N 1 1 388.281 2.911 20 30 GFEDMO C[N@@H+](CCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C1CCCC1 ZINC000410158205 563583830 /nfs/dbraw/zinc/58/38/30/563583830.db2.gz DTZBULZXHQVXGD-UHFFFAOYSA-N 1 1 375.416 2.730 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433292595 563608268 /nfs/dbraw/zinc/60/82/68/563608268.db2.gz XZXQKGNOKOIXDX-HIFRSBDPSA-N 1 1 394.313 2.714 20 30 GFEDMO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411987303 563643174 /nfs/dbraw/zinc/64/31/74/563643174.db2.gz UVJPNRIEKFUGHM-LJQANCHMSA-N 1 1 384.277 2.950 20 30 GFEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411987303 563643177 /nfs/dbraw/zinc/64/31/77/563643177.db2.gz UVJPNRIEKFUGHM-LJQANCHMSA-N 1 1 384.277 2.950 20 30 GFEDMO C=CCn1c(SC[C@H](O)C[N@H+](C)C2CC2)nc2sc(C)c(C)c2c1=O ZINC000290531789 563712910 /nfs/dbraw/zinc/71/29/10/563712910.db2.gz DHOBXIRCZKUYNY-CQSZACIVSA-N 1 1 379.551 2.808 20 30 GFEDMO C=CCN(Cc1cc(Br)ccc1F)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414752119 563751950 /nfs/dbraw/zinc/75/19/50/563751950.db2.gz TYUPETAKLFTLCD-AWEZNQCLSA-N 1 1 398.320 2.774 20 30 GFEDMO C[N@H+]1CCCC12CCN(C(=O)COc1ccc(C#N)c(Br)c1)CC2 ZINC000450380344 564230028 /nfs/dbraw/zinc/23/00/28/564230028.db2.gz QVNQBUJWEUKDFH-UHFFFAOYSA-N 1 1 392.297 2.786 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)c1ccccc1 ZINC000450975524 564259468 /nfs/dbraw/zinc/25/94/68/564259468.db2.gz XHGMJGFGDAFLAN-QGZVFWFLSA-N 1 1 377.897 2.987 20 30 GFEDMO C=CC[N@@H+](CCCNS(=O)(=O)CC)Cc1cc(Br)ccc1F ZINC000510513949 564336676 /nfs/dbraw/zinc/33/66/76/564336676.db2.gz KMDPMJYOBMYBIX-UHFFFAOYSA-N 1 1 393.322 2.906 20 30 GFEDMO C=CC[N@H+](CCCNS(=O)(=O)CC)Cc1cc(Br)ccc1F ZINC000510513949 564336678 /nfs/dbraw/zinc/33/66/78/564336678.db2.gz KMDPMJYOBMYBIX-UHFFFAOYSA-N 1 1 393.322 2.906 20 30 GFEDMO CC(C)[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000452102277 564393206 /nfs/dbraw/zinc/39/32/06/564393206.db2.gz HYLRGXFIPIEFGT-ZDUSSCGKSA-N 1 1 375.416 2.680 20 30 GFEDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000481759536 564522484 /nfs/dbraw/zinc/52/24/84/564522484.db2.gz CLWXPSLCQLTXNL-GJZGRUSLSA-N 1 1 381.270 2.863 20 30 GFEDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(C#N)cc1Br ZINC000481759536 564522488 /nfs/dbraw/zinc/52/24/88/564522488.db2.gz CLWXPSLCQLTXNL-GJZGRUSLSA-N 1 1 381.270 2.863 20 30 GFEDMO C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)CC[N@H+]1CC(C)(C)O ZINC000487872569 564698124 /nfs/dbraw/zinc/69/81/24/564698124.db2.gz DECXPOAZNRPKMT-GFCCVEGCSA-N 1 1 395.301 2.630 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000459858395 564763763 /nfs/dbraw/zinc/76/37/63/564763763.db2.gz HILBUBYGYXBNBR-UHFFFAOYSA-N 1 1 381.929 2.613 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000530857478 564895944 /nfs/dbraw/zinc/89/59/44/564895944.db2.gz OYRRIVKVQSGTTL-QGZVFWFLSA-N 1 1 381.860 2.932 20 30 GFEDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000562011324 565015585 /nfs/dbraw/zinc/01/55/85/565015585.db2.gz GMPQWUYOKXIXKC-GFCCVEGCSA-N 1 1 388.331 2.719 20 30 GFEDMO N#Cc1cccnc1N1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000619510041 565346147 /nfs/dbraw/zinc/34/61/47/565346147.db2.gz FJAUUHKJDGRYSO-UHFFFAOYSA-N 1 1 387.281 2.917 20 30 GFEDMO C[C@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[N@H+](Cc2ccccc2)C1 ZINC000593609470 565346951 /nfs/dbraw/zinc/34/69/51/565346951.db2.gz QPKSKICOKWWPDA-OAHLLOKOSA-N 1 1 375.519 2.762 20 30 GFEDMO C[C@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000593609470 565346956 /nfs/dbraw/zinc/34/69/56/565346956.db2.gz QPKSKICOKWWPDA-OAHLLOKOSA-N 1 1 375.519 2.762 20 30 GFEDMO CCN1CC[NH+](Cc2ccc(CNc3nc(C#N)c(Cl)s3)cc2)CC1 ZINC000596075383 565511494 /nfs/dbraw/zinc/51/14/94/565511494.db2.gz IUQGUECUQDQWRQ-UHFFFAOYSA-N 1 1 375.929 2.840 20 30 GFEDMO C=CCCSCCNC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000596092042 565513032 /nfs/dbraw/zinc/51/30/32/565513032.db2.gz IEOAIRYUMPPKOX-INIZCTEOSA-N 1 1 382.599 2.645 20 30 GFEDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000597860222 565578775 /nfs/dbraw/zinc/57/87/75/565578775.db2.gz MBXDVHQCFJNLHV-ZDUSSCGKSA-N 1 1 380.286 2.689 20 30 GFEDMO CC(C)[C@@H](C#N)N1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000609538024 566043384 /nfs/dbraw/zinc/04/33/84/566043384.db2.gz JJVOOADWRGYJQW-DOTOQJQBSA-N 1 1 386.323 2.899 20 30 GFEDMO C[C@@H](CC#N)[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000820219374 606660278 /nfs/dbraw/zinc/66/02/78/606660278.db2.gz FPGADIVUJJOLDY-LBPRGKRZSA-N 1 1 387.513 2.760 20 30 GFEDMO C[C@@H](CC#N)[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000820219374 606660279 /nfs/dbraw/zinc/66/02/79/606660279.db2.gz FPGADIVUJJOLDY-LBPRGKRZSA-N 1 1 387.513 2.760 20 30 GFEDMO C=CC[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)CC1CCCCC1 ZINC000823903734 607827630 /nfs/dbraw/zinc/82/76/30/607827630.db2.gz IWRQHTOKZYTXGO-UHFFFAOYSA-N 1 1 389.525 2.709 20 30 GFEDMO C=CC[N@@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)CC1CCCCC1 ZINC000823903734 607827631 /nfs/dbraw/zinc/82/76/31/607827631.db2.gz IWRQHTOKZYTXGO-UHFFFAOYSA-N 1 1 389.525 2.709 20 30 GFEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000825322411 607921437 /nfs/dbraw/zinc/92/14/37/607921437.db2.gz CBKOKMSGHVDHRY-UHFFFAOYSA-N 1 1 390.447 2.937 20 30 GFEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826387181 608462640 /nfs/dbraw/zinc/46/26/40/608462640.db2.gz JWOSEWURIRFYFW-UHFFFAOYSA-N 1 1 399.458 2.856 20 30 GFEDMO N#Cc1csc(CN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826387730 608509412 /nfs/dbraw/zinc/50/94/12/608509412.db2.gz NPXNXDOQSDHUDL-UHFFFAOYSA-N 1 1 379.493 2.508 20 30 GFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824984984 608540396 /nfs/dbraw/zinc/54/03/96/608540396.db2.gz PZNZIURTZAYPOQ-LBPRGKRZSA-N 1 1 382.859 2.835 20 30 GFEDMO CC(C)(CCC#N)C[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000824152887 608547201 /nfs/dbraw/zinc/54/72/01/608547201.db2.gz RVGKAHPAGJERDW-UHFFFAOYSA-N 1 1 396.455 2.567 20 30 GFEDMO Cc1cc(C)c(-c2nn[nH]n2)c(NC2CCC(Oc3ccc(C#N)cn3)CC2)[nH+]1 ZINC000826262022 608557687 /nfs/dbraw/zinc/55/76/87/608557687.db2.gz BUHNGSBKDIIAIP-UHFFFAOYSA-N 1 1 390.451 2.947 20 30 GFEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(OC)c2c(c1)OCCO2 ZINC000823914299 608631357 /nfs/dbraw/zinc/63/13/57/608631357.db2.gz FACZVXPAAXBVDB-UHFFFAOYSA-N 1 1 393.447 2.835 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1c(C)c2cc(Br)ccc2oc1=O ZINC000818606391 660230000 /nfs/dbraw/zinc/23/00/00/660230000.db2.gz RKALNNLITUVQJJ-UHFFFAOYSA-N 1 1 391.265 2.549 20 30 GFEDMO C#C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCOC)c1ccc(Br)cc1 ZINC000836316508 660899410 /nfs/dbraw/zinc/89/94/10/660899410.db2.gz QZDQWHDXSVFHDO-SJORKVTESA-N 1 1 394.313 2.533 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000836491158 660910546 /nfs/dbraw/zinc/91/05/46/660910546.db2.gz JBIZRGMNTUDOBO-HNNXBMFYSA-N 1 1 382.277 2.830 20 30 GFEDMO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@](=O)C1 ZINC000277282308 655310988 /nfs/dbraw/zinc/31/09/88/655310988.db2.gz BFDZPHPVSKEMDR-CANCMXDXSA-N 1 1 379.551 2.528 20 30 GFEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@](=O)C1 ZINC000277282308 655310991 /nfs/dbraw/zinc/31/09/91/655310991.db2.gz BFDZPHPVSKEMDR-CANCMXDXSA-N 1 1 379.551 2.528 20 30 GFEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)c(O)c(OCC)c2)C1=O ZINC000298013995 655372047 /nfs/dbraw/zinc/37/20/47/655372047.db2.gz CPOBUNYENHKCMF-CQSZACIVSA-N 1 1 383.286 2.772 20 30 GFEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)c(O)c(OCC)c2)C1=O ZINC000298013995 655372048 /nfs/dbraw/zinc/37/20/48/655372048.db2.gz CPOBUNYENHKCMF-CQSZACIVSA-N 1 1 383.286 2.772 20 30 GFEDMO C[NH+]=C(NCC1(N(C)C)CCOCC1)N(C)Cc1ccccc1Br ZINC000262798483 655447179 /nfs/dbraw/zinc/44/71/79/655447179.db2.gz QALFFOIHXQKSPW-UHFFFAOYSA-N 1 1 397.361 2.567 20 30 GFEDMO C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733181149 655608950 /nfs/dbraw/zinc/60/89/50/655608950.db2.gz JXRDLXZBQDRWJZ-BBRMVZONSA-N 1 1 377.282 2.686 20 30 GFEDMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000755043181 655879049 /nfs/dbraw/zinc/87/90/49/655879049.db2.gz VHZHQHJPTIQBFI-RHSMWYFYSA-N 1 1 389.297 3.000 20 30 GFEDMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000755043181 655879050 /nfs/dbraw/zinc/87/90/50/655879050.db2.gz VHZHQHJPTIQBFI-RHSMWYFYSA-N 1 1 389.297 3.000 20 30 GFEDMO CC(C[C@@H]1COCCN1C(=O)OC(C)(C)C)=[NH+]n1cc(Br)cn1 ZINC000767386917 656201096 /nfs/dbraw/zinc/20/10/96/656201096.db2.gz GMEJWPJNDHZVOW-CYBMUJFWSA-N 1 1 387.278 2.896 20 30 GFEDMO C#CC[NH+]1CCC(c2nc(Cc3cc(Br)cnc3OC)no2)CC1 ZINC000770891267 656334215 /nfs/dbraw/zinc/33/42/15/656334215.db2.gz OZAUAYIGTWQNQF-UHFFFAOYSA-N 1 1 391.269 2.639 20 30 GFEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@@H](O)c3cccc(Br)c3)C2)nc1 ZINC000794834351 658619593 /nfs/dbraw/zinc/61/95/93/658619593.db2.gz UTFLMMRLUNPAHH-DLBZAZTESA-N 1 1 388.265 2.902 20 30 GFEDMO N#Cc1ccc(O[C@H]2CC[N@H+](C[C@@H](O)c3cccc(Br)c3)C2)nc1 ZINC000794834351 658619612 /nfs/dbraw/zinc/61/96/12/658619612.db2.gz UTFLMMRLUNPAHH-DLBZAZTESA-N 1 1 388.265 2.902 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc(Br)cnc1OCC1CC1 ZINC000796988612 658958333 /nfs/dbraw/zinc/95/83/33/658958333.db2.gz KLWRJFIHMBLRBI-OAHLLOKOSA-N 1 1 393.281 2.887 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc(Br)cnc1OCC1CC1 ZINC000796988612 658958345 /nfs/dbraw/zinc/95/83/45/658958345.db2.gz KLWRJFIHMBLRBI-OAHLLOKOSA-N 1 1 393.281 2.887 20 30 GFEDMO C[N@@H+](CCN1CCN(c2nc(Cl)c(C#N)s2)CC1)Cc1ccccc1 ZINC000804431859 659645491 /nfs/dbraw/zinc/64/54/91/659645491.db2.gz XODINLSDIDVCLG-UHFFFAOYSA-N 1 1 375.929 2.922 20 30 GFEDMO CC1(C)OC[C@H](C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)O1 ZINC000851884586 661843037 /nfs/dbraw/zinc/84/30/37/661843037.db2.gz FLUJVOZHHCGLDF-IRXDYDNUSA-N 1 1 394.313 2.783 20 30 GFEDMO CC1(C)OC[C@H](C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)O1 ZINC000851884584 661843085 /nfs/dbraw/zinc/84/30/85/661843085.db2.gz FLUJVOZHHCGLDF-DLBZAZTESA-N 1 1 394.313 2.783 20 30 GFEDMO C#CCC[N@H+](CCOC)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000852751477 661873423 /nfs/dbraw/zinc/87/34/23/661873423.db2.gz DXIBGGBIMRRKRJ-AWEZNQCLSA-N 1 1 390.705 2.814 20 30 GFEDMO N#Cc1ccc(C[NH+]2CCN(c3ccc(CO)c(Br)n3)CC2)cc1 ZINC000865408208 662419303 /nfs/dbraw/zinc/41/93/03/662419303.db2.gz QQJAKUYSCLWNOA-UHFFFAOYSA-N 1 1 387.281 2.530 20 30 GFEDMO COC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000879662105 662934897 /nfs/dbraw/zinc/93/48/97/662934897.db2.gz QNKXJSDKPPEXGO-RDJZCZTQSA-N 1 1 380.286 2.535 20 30 GFEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Br)c(C#N)n2)[C@H](C)C1 ZINC000883092424 663048737 /nfs/dbraw/zinc/04/87/37/663048737.db2.gz ORAGLKWKSMVBNZ-RISCZKNCSA-N 1 1 380.290 2.910 20 30 GFEDMO CC(C)(C)OC(=O)N[C@H]1CC(=[NH+]n2cc(Br)cn2)C12CCOCC2 ZINC000901208883 663732279 /nfs/dbraw/zinc/73/22/79/663732279.db2.gz ZUCOZACORGIYSZ-LBPRGKRZSA-N 1 1 399.289 2.944 20 30 GFEDMO C[C@H]1C[C@H](NS(=O)(=O)Cc2csc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000914244021 664390060 /nfs/dbraw/zinc/39/00/60/664390060.db2.gz YRUOIOZYCALIRE-YOEHRIQHSA-N 1 1 375.519 2.702 20 30 GFEDMO C#CC[N@H+]1CCC[C@@H](N2C(=O)[C@@H](c3ccc(Br)s3)N(C)C2=O)C1 ZINC000925325971 664670494 /nfs/dbraw/zinc/67/04/94/664670494.db2.gz OVGYNDICGRCYMW-BXUZGUMPSA-N 1 1 396.310 2.543 20 30 GFEDMO C#CC[N@@H+]1CCC[C@@H](N2C(=O)[C@@H](c3ccc(Br)s3)N(C)C2=O)C1 ZINC000925325971 664670497 /nfs/dbraw/zinc/67/04/97/664670497.db2.gz OVGYNDICGRCYMW-BXUZGUMPSA-N 1 1 396.310 2.543 20 30 GFEDMO C[NH+]1CCN([C@H](CNC(=O)Nc2sccc2C#N)c2cccs2)CC1 ZINC000931848715 664805849 /nfs/dbraw/zinc/80/58/49/664805849.db2.gz MNHLCMWVGWDKEN-CQSZACIVSA-N 1 1 375.523 2.791 20 30 GFEDMO Cn1cc([C@@H]2CSCCC[N@H+]2CCC(=O)Nc2sccc2C#N)cn1 ZINC000933982219 664884123 /nfs/dbraw/zinc/88/41/23/664884123.db2.gz OZWXAVJQQYRLEC-HNNXBMFYSA-N 1 1 375.523 2.862 20 30 GFEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000934465607 664907351 /nfs/dbraw/zinc/90/73/51/664907351.db2.gz FAXCBUWJQTYKSC-GXTWGEPZSA-N 1 1 385.917 2.568 20 30 GFEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000934465607 664907355 /nfs/dbraw/zinc/90/73/55/664907355.db2.gz FAXCBUWJQTYKSC-GXTWGEPZSA-N 1 1 385.917 2.568 20 30 GFEDMO CCCc1cc(C#N)c(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)nc1Cl ZINC001164853081 720860988 /nfs/dbraw/zinc/86/09/88/720860988.db2.gz GJHKWICSDDBVEE-FUHWJXTLSA-N 1 1 392.931 2.733 20 30 GFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccncc5)ccc4C#N)C[C@@H]3C2)cn1 ZINC001164773353 721190279 /nfs/dbraw/zinc/19/02/79/721190279.db2.gz WNDKXEQROVRHDQ-SFTDATJTSA-N 1 1 399.502 2.707 20 30 GFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(F)cc3C#N)C2)C1 ZINC001164776751 721339126 /nfs/dbraw/zinc/33/91/26/721339126.db2.gz IHIIPXGITFKBSW-NRFANRHFSA-N 1 1 399.470 2.816 20 30 GFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(F)cc3C#N)C2)C1 ZINC001164776751 721339127 /nfs/dbraw/zinc/33/91/27/721339127.db2.gz IHIIPXGITFKBSW-NRFANRHFSA-N 1 1 399.470 2.816 20 30 GFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C)cc1C#N)CC2 ZINC001164790588 721452182 /nfs/dbraw/zinc/45/21/82/721452182.db2.gz ZXIQXOIZKWYCIC-OAQYLSRUSA-N 1 1 398.551 2.996 20 30 GFEDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000123589322 551307115 /nfs/dbraw/zinc/30/71/15/551307115.db2.gz PGOIDVCUQFGQLJ-GFCCVEGCSA-N 1 1 375.416 2.539 20 30 GFEDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000173245122 552080484 /nfs/dbraw/zinc/08/04/84/552080484.db2.gz BGONOIQETCNLNF-FZMZJTMJSA-N 1 1 375.416 2.538 20 30 GFEDMO N#CCSCCC[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000173878530 552095309 /nfs/dbraw/zinc/09/53/09/552095309.db2.gz PVZCHAKEAHKDLQ-UHFFFAOYSA-N 1 1 382.327 2.854 20 30 GFEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H](O)C(F)(F)F ZINC000181254479 552251306 /nfs/dbraw/zinc/25/13/06/552251306.db2.gz ZBTUYOYGTBEFLA-CYBMUJFWSA-N 1 1 375.416 2.682 20 30 GFEDMO C[C@@H](C#N)CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000182723704 552291152 /nfs/dbraw/zinc/29/11/52/552291152.db2.gz DWTHOUGXAOGZIZ-ZDUSSCGKSA-N 1 1 379.302 2.872 20 30 GFEDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000246200105 553104601 /nfs/dbraw/zinc/10/46/01/553104601.db2.gz OPIIFMSNSLOANP-QAPCUYQASA-N 1 1 375.519 2.981 20 30 GFEDMO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000248504526 553130322 /nfs/dbraw/zinc/13/03/22/553130322.db2.gz VSNIRNSATUGKHX-YOEHRIQHSA-N 1 1 379.913 2.849 20 30 GFEDMO C[C@H](CO)[N@H+]1CCCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000374148830 563362969 /nfs/dbraw/zinc/36/29/69/563362969.db2.gz MYNSACMJOKSZSP-CYBMUJFWSA-N 1 1 389.297 2.762 20 30 GFEDMO C=CCn1cc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)nn1 ZINC000424293076 563375828 /nfs/dbraw/zinc/37/58/28/563375828.db2.gz HYVYOPFJZAKNJT-LBPRGKRZSA-N 1 1 378.274 2.734 20 30 GFEDMO C[N@H+]1CCC[C@H](N2CCN(Cc3ccc(Br)cc3C#N)CC2)C1 ZINC000376508815 563444807 /nfs/dbraw/zinc/44/48/07/563444807.db2.gz XNDOMMZGULUSJF-SFHVURJKSA-N 1 1 377.330 2.533 20 30 GFEDMO CS(=O)(=O)c1ccc(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)s1 ZINC000329859774 563490190 /nfs/dbraw/zinc/49/01/90/563490190.db2.gz PAAGUMDNRWKGLT-UHFFFAOYSA-N 1 1 385.555 2.516 20 30 GFEDMO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000331032172 563532218 /nfs/dbraw/zinc/53/22/18/563532218.db2.gz HIWQHOUJPXVMHG-CQSZACIVSA-N 1 1 375.416 2.728 20 30 GFEDMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000333203107 563623959 /nfs/dbraw/zinc/62/39/59/563623959.db2.gz ZYQWDTFIOJJFCK-ZDUSSCGKSA-N 1 1 396.563 2.527 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)cc1OC ZINC000414494226 563744520 /nfs/dbraw/zinc/74/45/20/563744520.db2.gz DLYJIVRJYZYUFV-AWEZNQCLSA-N 1 1 397.313 2.933 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)cc1OC ZINC000365659732 563790094 /nfs/dbraw/zinc/79/00/94/563790094.db2.gz NSVCRVMFWHZVND-KGLIPLIRSA-N 1 1 395.297 2.590 20 30 GFEDMO CC[N@H+]1CC[C@H](N(C)C(=O)COc2cccc(Br)c2C#N)[C@H](C)C1 ZINC000449988520 564212878 /nfs/dbraw/zinc/21/28/78/564212878.db2.gz SKPYUUHDCIZWHV-CJNGLKHVSA-N 1 1 394.313 2.888 20 30 GFEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000450108095 564217367 /nfs/dbraw/zinc/21/73/67/564217367.db2.gz ZWOVOXJENGXREX-AWEZNQCLSA-N 1 1 394.313 2.794 20 30 GFEDMO N#Cc1cc(Br)cnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000450221346 564222503 /nfs/dbraw/zinc/22/25/03/564222503.db2.gz RBAUQNAUMJNNKJ-UHFFFAOYSA-N 1 1 387.281 2.917 20 30 GFEDMO CC(C)[N@H+]1CCC[C@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000450930552 564255866 /nfs/dbraw/zinc/25/58/66/564255866.db2.gz NDKBMIFAYYDCBQ-ZDUSSCGKSA-N 1 1 380.286 2.689 20 30 GFEDMO N#CCC1CC[NH+](CC(=O)Nc2ccc(I)cc2)CC1 ZINC000542878573 564329299 /nfs/dbraw/zinc/32/92/99/564329299.db2.gz GMEIBBINRHFYCS-UHFFFAOYSA-N 1 1 383.233 2.855 20 30 GFEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C#N)c(Br)c1 ZINC000567071386 564356673 /nfs/dbraw/zinc/35/66/73/564356673.db2.gz YYNIZPUUAWQEFM-CABCVRRESA-N 1 1 392.297 2.785 20 30 GFEDMO CCN(CCC#N)C(=O)C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483273653 564562906 /nfs/dbraw/zinc/56/29/06/564562906.db2.gz UAAGZGOHMZSXLE-AWEZNQCLSA-N 1 1 377.794 2.744 20 30 GFEDMO C=C(CC)CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000455899968 564579302 /nfs/dbraw/zinc/57/93/02/564579302.db2.gz OHYLQIXVDXOKIU-UHFFFAOYSA-N 1 1 382.306 2.684 20 30 GFEDMO C[C@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)CSCC#N ZINC000456354846 564601469 /nfs/dbraw/zinc/60/14/69/564601469.db2.gz BHKNCYYLTTYNTF-LBPRGKRZSA-N 1 1 397.342 2.785 20 30 GFEDMO COCC[NH+]1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000573189859 564627185 /nfs/dbraw/zinc/62/71/85/564627185.db2.gz XFMLHPVGNDEGSU-UHFFFAOYSA-N 1 1 375.270 2.637 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000458031678 564685567 /nfs/dbraw/zinc/68/55/67/564685567.db2.gz IZVDZGQNCNAOIC-ZDUSSCGKSA-N 1 1 383.286 2.921 20 30 GFEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000489445940 564739912 /nfs/dbraw/zinc/73/99/12/564739912.db2.gz YNHFDTNLMYIEHO-CYBMUJFWSA-N 1 1 380.286 2.544 20 30 GFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000489445940 564739917 /nfs/dbraw/zinc/73/99/17/564739917.db2.gz YNHFDTNLMYIEHO-CYBMUJFWSA-N 1 1 380.286 2.544 20 30 GFEDMO CC[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1cccc(Br)c1 ZINC000531587911 564914697 /nfs/dbraw/zinc/91/46/97/564914697.db2.gz GXKWYLAAGLBVKW-UHFFFAOYSA-N 1 1 377.286 2.927 20 30 GFEDMO CC[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1cccc(Br)c1 ZINC000531587911 564914698 /nfs/dbraw/zinc/91/46/98/564914698.db2.gz GXKWYLAAGLBVKW-UHFFFAOYSA-N 1 1 377.286 2.927 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(F)cc1 ZINC000561342977 564992477 /nfs/dbraw/zinc/99/24/77/564992477.db2.gz XXAVHYWPXSYKFE-MRXNPFEDSA-N 1 1 381.860 2.932 20 30 GFEDMO C=CCC[C@@H](O)C[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000469996916 565034484 /nfs/dbraw/zinc/03/44/84/565034484.db2.gz STMFZTWLERPZAH-OAHLLOKOSA-N 1 1 387.307 2.844 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470029675 565035622 /nfs/dbraw/zinc/03/56/22/565035622.db2.gz GCIPMRGHKZJZLV-AAEUAGOBSA-N 1 1 386.279 2.847 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470029675 565035624 /nfs/dbraw/zinc/03/56/24/565035624.db2.gz GCIPMRGHKZJZLV-AAEUAGOBSA-N 1 1 386.279 2.847 20 30 GFEDMO Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@@](O)(CC#N)C3)C2=O)ccc1Br ZINC000592150668 565260297 /nfs/dbraw/zinc/26/02/97/565260297.db2.gz GCRNQGORPXCWHY-WMZOPIPTSA-N 1 1 392.297 2.603 20 30 GFEDMO Cc1cc(N2CCC[C@H]([N@H+]3CC[C@@](O)(CC#N)C3)C2=O)ccc1Br ZINC000592150668 565260299 /nfs/dbraw/zinc/26/02/99/565260299.db2.gz GCRNQGORPXCWHY-WMZOPIPTSA-N 1 1 392.297 2.603 20 30 GFEDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593101668 565314279 /nfs/dbraw/zinc/31/42/79/565314279.db2.gz QYWAKGLJYVCSSU-YOEHRIQHSA-N 1 1 376.298 2.806 20 30 GFEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000661380242 565321441 /nfs/dbraw/zinc/32/14/41/565321441.db2.gz LNCCWXKSSGSODP-CQSZACIVSA-N 1 1 394.313 2.792 20 30 GFEDMO N#Cc1sccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000593537402 565339377 /nfs/dbraw/zinc/33/93/77/565339377.db2.gz CDTVGRDLQPDETD-ZDUSSCGKSA-N 1 1 381.548 2.872 20 30 GFEDMO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccsc1C#N ZINC000593556674 565340113 /nfs/dbraw/zinc/34/01/13/565340113.db2.gz LQBJRLZMHXMOTO-HNNXBMFYSA-N 1 1 375.519 2.905 20 30 GFEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccsc1C#N ZINC000593556674 565340119 /nfs/dbraw/zinc/34/01/19/565340119.db2.gz LQBJRLZMHXMOTO-HNNXBMFYSA-N 1 1 375.519 2.905 20 30 GFEDMO CSc1ccc([C@H](CNS(=O)(=O)c2ccsc2C#N)[NH+](C)C)cc1 ZINC000593600614 565346221 /nfs/dbraw/zinc/34/62/21/565346221.db2.gz CCPNIJJMGXBYHQ-AWEZNQCLSA-N 1 1 381.548 2.923 20 30 GFEDMO N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000594483741 565394959 /nfs/dbraw/zinc/39/49/59/565394959.db2.gz OSOUYMXFAJRXNM-HZPDHXFCSA-N 1 1 398.326 2.616 20 30 GFEDMO Cn1cc(Br)cc1C[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599311121 565668754 /nfs/dbraw/zinc/66/87/54/565668754.db2.gz GUWKGRZUVVNHIA-INIZCTEOSA-N 1 1 378.270 2.531 20 30 GFEDMO C[N@H+]1CCCC[C@@H](CNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000600314194 565723381 /nfs/dbraw/zinc/72/33/81/565723381.db2.gz NBGBZZHKCNCEFW-ZDUSSCGKSA-N 1 1 380.286 2.548 20 30 GFEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H](C)N1CC#N ZINC000602858909 565871695 /nfs/dbraw/zinc/87/16/95/565871695.db2.gz CPAONBNJZUWZHX-OKILXGFUSA-N 1 1 379.302 2.696 20 30 GFEDMO N#Cc1cc(NCc2ccccc2C[NH+]2CCOCC2)ncc1Br ZINC000603269059 565893608 /nfs/dbraw/zinc/89/36/08/565893608.db2.gz LVQODKSQHYXUDA-UHFFFAOYSA-N 1 1 387.281 2.582 20 30 GFEDMO N#C[C@@H](NC(=O)CCCC[NH+]1CCOCC1)c1ccccc1Br ZINC000609591015 566045638 /nfs/dbraw/zinc/04/56/38/566045638.db2.gz OMNGODGKONWRAM-MRXNPFEDSA-N 1 1 380.286 2.632 20 30 GFEDMO C#CC[N@H+](Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000735374822 598850202 /nfs/dbraw/zinc/85/02/02/598850202.db2.gz MBVGVMKTFKKGAW-UHFFFAOYSA-N 1 1 376.468 2.659 20 30 GFEDMO N#Cc1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1-c1nn[nH]n1 ZINC000737705232 598919048 /nfs/dbraw/zinc/91/90/48/598919048.db2.gz OVAJMQBTCJHKLC-INIZCTEOSA-N 1 1 387.447 2.589 20 30 GFEDMO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000735425842 599129604 /nfs/dbraw/zinc/12/96/04/599129604.db2.gz INUNDVBGKRQAFK-IBGZPJMESA-N 1 1 390.447 2.880 20 30 GFEDMO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000735425844 599129988 /nfs/dbraw/zinc/12/99/88/599129988.db2.gz INUNDVBGKRQAFK-LJQANCHMSA-N 1 1 390.447 2.880 20 30 GFEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000737712529 598679031 /nfs/dbraw/zinc/67/90/31/598679031.db2.gz QSEDQCNRGTYGQZ-UHFFFAOYSA-N 1 1 391.454 2.585 20 30 GFEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000737712529 598679033 /nfs/dbraw/zinc/67/90/33/598679033.db2.gz QSEDQCNRGTYGQZ-UHFFFAOYSA-N 1 1 391.454 2.585 20 30 GFEDMO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000737712529 598679035 /nfs/dbraw/zinc/67/90/35/598679035.db2.gz QSEDQCNRGTYGQZ-UHFFFAOYSA-N 1 1 391.454 2.585 20 30 GFEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000737727260 598680759 /nfs/dbraw/zinc/68/07/59/598680759.db2.gz IAXMCHXNBIVZEX-UHFFFAOYSA-N 1 1 377.427 2.590 20 30 GFEDMO C#CCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000837418773 660995211 /nfs/dbraw/zinc/99/52/11/660995211.db2.gz NZADMPSTDGCYOU-MRXNPFEDSA-N 1 1 388.265 2.940 20 30 GFEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1Cl ZINC000109758028 655151588 /nfs/dbraw/zinc/15/15/88/655151588.db2.gz BXELJWZKMAOYEO-ZFWWWQNUSA-N 1 1 375.778 2.928 20 30 GFEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c(Br)c1 ZINC000275071720 655215122 /nfs/dbraw/zinc/21/51/22/655215122.db2.gz AGFMWFXERQHZBY-LBPRGKRZSA-N 1 1 390.203 2.821 20 30 GFEDMO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cccc([N+](=O)[O-])c1Br ZINC000839525874 661089826 /nfs/dbraw/zinc/08/98/26/661089826.db2.gz AOHLFFDNFLGAHP-UHFFFAOYSA-N 1 1 393.245 2.599 20 30 GFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cccc([N+](=O)[O-])c1Br ZINC000839525874 661089827 /nfs/dbraw/zinc/08/98/27/661089827.db2.gz AOHLFFDNFLGAHP-UHFFFAOYSA-N 1 1 393.245 2.599 20 30 GFEDMO C[NH+]=C(NCc1cc(F)cc(Br)c1)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261949334 655443251 /nfs/dbraw/zinc/44/32/51/655443251.db2.gz GUZGEBODUIWRJZ-BDJLRTHQSA-N 1 1 383.309 2.736 20 30 GFEDMO N#Cc1ccc(N2CC[NH+](CCOc3cccc(Br)c3)CC2)cn1 ZINC000750026112 655810628 /nfs/dbraw/zinc/81/06/28/655810628.db2.gz SJWUDXPSLLQLIN-UHFFFAOYSA-N 1 1 387.281 2.917 20 30 GFEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000775182669 656611168 /nfs/dbraw/zinc/61/11/68/656611168.db2.gz FOUYXQBPZKOWQK-CYBMUJFWSA-N 1 1 397.313 2.768 20 30 GFEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000776595467 656764246 /nfs/dbraw/zinc/76/42/46/656764246.db2.gz MELNODFWQXCIFI-HNNXBMFYSA-N 1 1 378.314 2.725 20 30 GFEDMO COc1cc(C=NNc2cc[nH+]cc2)cc(I)c1OC ZINC000779812033 656944810 /nfs/dbraw/zinc/94/48/10/656944810.db2.gz XCOSKHHNGZTUDF-UHFFFAOYSA-N 1 1 383.189 2.571 20 30 GFEDMO C#CCC[NH+]1CCN(C(=O)CCc2ccc(Br)cc2OC)CC1 ZINC000782631945 657164468 /nfs/dbraw/zinc/16/44/68/657164468.db2.gz WUOSGEVKNGYYGA-UHFFFAOYSA-N 1 1 379.298 2.558 20 30 GFEDMO Brc1ccc2ccc(C=NNCCC[NH+]3CCOCC3)nc2c1 ZINC000799488178 659194045 /nfs/dbraw/zinc/19/40/45/659194045.db2.gz CMEGWYAHKIZQQM-UHFFFAOYSA-N 1 1 377.286 2.643 20 30 GFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801525293 659401772 /nfs/dbraw/zinc/40/17/72/659401772.db2.gz HZRKWSGKVXXOAR-UHFFFAOYSA-N 1 1 393.245 2.599 20 30 GFEDMO C[NH+]1CCN([C@H](C(=O)Nc2nc(Cl)c(C#N)s2)c2ccccc2)CC1 ZINC000813370090 660052174 /nfs/dbraw/zinc/05/21/74/660052174.db2.gz VIWYCRGXDGTLLS-AWEZNQCLSA-N 1 1 375.885 2.595 20 30 GFEDMO C#CC[N@@H+](C)CCCNc1ncnc2ccc(I)cc21 ZINC000814928419 660098499 /nfs/dbraw/zinc/09/84/99/660098499.db2.gz IBYACPGSOBHMEF-UHFFFAOYSA-N 1 1 380.233 2.601 20 30 GFEDMO C#CC[N@H+](C)CCCNc1cc(Br)c(C(=O)OCC)cc1[N+](=O)[O-] ZINC000814929330 660098527 /nfs/dbraw/zinc/09/85/27/660098527.db2.gz RHOFKXWVDNIGMD-UHFFFAOYSA-N 1 1 398.257 2.901 20 30 GFEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC000862447590 662288209 /nfs/dbraw/zinc/28/82/09/662288209.db2.gz OUXNDICTOQXUQT-KBPBESRZSA-N 1 1 379.298 2.808 20 30 GFEDMO COC[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1cccc(Br)c1 ZINC000871924414 662742644 /nfs/dbraw/zinc/74/26/44/662742644.db2.gz JAHUGZCGYQIIFM-WFASDCNBSA-N 1 1 380.286 2.677 20 30 GFEDMO COc1cc(C[N@H+](C)Cc2cc(C#N)cs2)cc(Cl)c1OCC(N)=O ZINC000897625073 663614272 /nfs/dbraw/zinc/61/42/72/663614272.db2.gz BPMRIWLGNJRNCK-UHFFFAOYSA-N 1 1 379.869 2.778 20 30 GFEDMO COc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)cc(Cl)c1OCC(N)=O ZINC000897625073 663614274 /nfs/dbraw/zinc/61/42/74/663614274.db2.gz BPMRIWLGNJRNCK-UHFFFAOYSA-N 1 1 379.869 2.778 20 30 GFEDMO Cc1c[nH+]ccc1OC1CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1 ZINC000915045799 664419781 /nfs/dbraw/zinc/41/97/81/664419781.db2.gz FZPDUHPGLWKDNM-UHFFFAOYSA-N 1 1 377.491 2.696 20 30 GFEDMO Cc1nn(-c2ccc(Br)cc2)c(C)c1C=NN1CC[NH+](C)CC1 ZINC000917530740 664485683 /nfs/dbraw/zinc/48/56/83/664485683.db2.gz YWGPPYGKHSQLRG-UHFFFAOYSA-N 1 1 376.302 2.833 20 30 GFEDMO C#CC[C@@H](CO)NC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000917616835 664487259 /nfs/dbraw/zinc/48/72/59/664487259.db2.gz GBPYUTXUIOGDGS-HNNXBMFYSA-N 1 1 384.307 2.641 20 30 GFEDMO CCN(C(=O)Nc1ccc(C#N)cc1I)[C@H]1CC[N@@H+](C)C1 ZINC000932553960 664827837 /nfs/dbraw/zinc/82/78/37/664827837.db2.gz SVEYDXGXMIGBBL-LBPRGKRZSA-N 1 1 398.248 2.721 20 30 GFEDMO FC1(F)[C@H]2C[N@@H+](CCO[C@H]3CCOC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932942554 664843877 /nfs/dbraw/zinc/84/38/77/664843877.db2.gz ZRRNILGIRXVICP-LPEHRKFASA-N 1 1 383.279 2.895 20 30 GFEDMO C=C(Br)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)CC1 ZINC001000222342 665045206 /nfs/dbraw/zinc/04/52/06/665045206.db2.gz GTYKZBCQTXBEQB-ALYAQQCSSA-N 1 1 395.341 2.679 20 30 GFEDMO N#Cc1cc(Cl)nnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696100 719888741 /nfs/dbraw/zinc/88/87/41/719888741.db2.gz XDNPOJTUFWZZMJ-UHFFFAOYSA-N 1 1 389.912 2.935 20 30 GFEDMO N#Cc1cc(Cl)nnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696100 719888744 /nfs/dbraw/zinc/88/87/44/719888744.db2.gz XDNPOJTUFWZZMJ-UHFFFAOYSA-N 1 1 389.912 2.935 20 30 GFEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)ncc3C#N)CC[C@@H]21 ZINC001164839992 720520831 /nfs/dbraw/zinc/52/08/31/720520831.db2.gz VMBAKPDVNKXQOF-PVAVHDDUSA-N 1 1 385.903 2.576 20 30 GFEDMO N#Cc1cc(F)c(Cl)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866074 721045453 /nfs/dbraw/zinc/04/54/53/721045453.db2.gz CIKPXMWRIDRWOS-HOTGVXAUSA-N 1 1 387.846 2.620 20 30 GFEDMO Cc1nc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164903438 721535764 /nfs/dbraw/zinc/53/57/64/721535764.db2.gz CNPCIUXOLSRXJI-ZBFHGGJFSA-N 1 1 387.846 2.791 20 30 GFEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(C#N)ccc3[N+](=O)[O-])C[C@H]21 ZINC001165027301 721811615 /nfs/dbraw/zinc/81/16/15/721811615.db2.gz UGXHYHVKZZKPOQ-ATZDWAIDSA-N 1 1 392.463 2.993 20 30 GFEDMO N#CCc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164981105 722150468 /nfs/dbraw/zinc/15/04/68/722150468.db2.gz OLBVGLJKRLNNKS-ICSRJNTNSA-N 1 1 397.910 2.923 20 30 GFEDMO C[N@H+](CC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H]1CCSC1 ZINC000541141595 532749377 /nfs/dbraw/zinc/74/93/77/532749377.db2.gz AQQACKPHDKQVHY-CYBMUJFWSA-N 1 1 375.885 2.773 20 30 GFEDMO C[N@@H+](CC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H]1CCSC1 ZINC000541141595 532749382 /nfs/dbraw/zinc/74/93/82/532749382.db2.gz AQQACKPHDKQVHY-CYBMUJFWSA-N 1 1 375.885 2.773 20 30 GFEDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155254585 551495882 /nfs/dbraw/zinc/49/58/82/551495882.db2.gz SQHKARFMLPQERV-HUUCEWRRSA-N 1 1 398.326 2.568 20 30 GFEDMO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000181103024 552246373 /nfs/dbraw/zinc/24/63/73/552246373.db2.gz DTYDSCSSNJPHEG-MRXNPFEDSA-N 1 1 385.302 2.555 20 30 GFEDMO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181103024 552246375 /nfs/dbraw/zinc/24/63/75/552246375.db2.gz DTYDSCSSNJPHEG-MRXNPFEDSA-N 1 1 385.302 2.555 20 30 GFEDMO N#Cc1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)c(Br)c1 ZINC000181186381 552249269 /nfs/dbraw/zinc/24/92/69/552249269.db2.gz FRDVDZSNPLZDLD-UHFFFAOYSA-N 1 1 377.286 2.700 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000246579463 553110256 /nfs/dbraw/zinc/11/02/56/553110256.db2.gz SCMWTFOOFOBMBV-KSSFIOAISA-N 1 1 379.913 2.849 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000248558423 553131156 /nfs/dbraw/zinc/13/11/56/553131156.db2.gz MABKRHTZRJWVEY-YOEHRIQHSA-N 1 1 379.913 2.849 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000296816038 563303006 /nfs/dbraw/zinc/30/30/06/563303006.db2.gz IYKMKDNJNSOQML-MRXNPFEDSA-N 1 1 379.302 2.550 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000282744105 563422552 /nfs/dbraw/zinc/42/25/52/563422552.db2.gz ULCDBQUOBQSODN-GOSISDBHSA-N 1 1 377.897 2.934 20 30 GFEDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(C#N)o2)[C@H]1c1cccc(Cl)c1 ZINC000376273842 563435968 /nfs/dbraw/zinc/43/59/68/563435968.db2.gz MILCHHUKJNUZNA-SUMWQHHRSA-N 1 1 379.869 2.776 20 30 GFEDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC[N@H+]1C ZINC000329731397 563486789 /nfs/dbraw/zinc/48/67/89/563486789.db2.gz PSUARJQHHNWRTA-KFWWJZLASA-N 1 1 385.555 2.731 20 30 GFEDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000330371203 563502669 /nfs/dbraw/zinc/50/26/69/563502669.db2.gz IAMHUDNVRDCFMI-LBPRGKRZSA-N 1 1 375.416 2.587 20 30 GFEDMO Cc1cccc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1Br ZINC000330974084 563530348 /nfs/dbraw/zinc/53/03/48/563530348.db2.gz VAGYQHSIDFDMPW-AWEZNQCLSA-N 1 1 398.345 2.949 20 30 GFEDMO Cc1cccc(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1Br ZINC000330978733 563530381 /nfs/dbraw/zinc/53/03/81/563530381.db2.gz WKTATCOPTJNUIV-AWEZNQCLSA-N 1 1 398.345 2.949 20 30 GFEDMO N#Cc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1Br ZINC000287305208 563595545 /nfs/dbraw/zinc/59/55/45/563595545.db2.gz TUNZMMWGFUZERP-OAHLLOKOSA-N 1 1 395.301 2.679 20 30 GFEDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000290025295 563695279 /nfs/dbraw/zinc/69/52/79/563695279.db2.gz YOLOKTUJTYISEN-ZDUSSCGKSA-N 1 1 375.416 2.682 20 30 GFEDMO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000443107558 563792391 /nfs/dbraw/zinc/79/23/91/563792391.db2.gz GRXMLGCLRSZAQB-GFCCVEGCSA-N 1 1 375.416 2.730 20 30 GFEDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000450098364 564216182 /nfs/dbraw/zinc/21/61/82/564216182.db2.gz VDTGHHFXXUVWIS-IUODEOHRSA-N 1 1 380.286 2.544 20 30 GFEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)CSC[C@H]1C[N@H+](C)CCO1 ZINC000564957766 564259088 /nfs/dbraw/zinc/25/90/88/564259088.db2.gz BXIFWGCGLBSSBH-LSDHHAIUSA-N 1 1 379.551 2.941 20 30 GFEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)CSC[C@H]1C[N@@H+](C)CCO1 ZINC000564957766 564259092 /nfs/dbraw/zinc/25/90/92/564259092.db2.gz BXIFWGCGLBSSBH-LSDHHAIUSA-N 1 1 379.551 2.941 20 30 GFEDMO N#CCC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000540977722 564262097 /nfs/dbraw/zinc/26/20/97/564262097.db2.gz DAHZQOMAAJXMAC-OAHLLOKOSA-N 1 1 376.254 2.707 20 30 GFEDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000546731906 564465924 /nfs/dbraw/zinc/46/59/24/564465924.db2.gz MGOIVZSSYVJIMQ-CYBMUJFWSA-N 1 1 375.416 2.587 20 30 GFEDMO C=C[C@@](C)(O)CC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456361917 564602021 /nfs/dbraw/zinc/60/20/21/564602021.db2.gz DBUUEUFWCRKJBI-SCLBCKFNSA-N 1 1 396.329 2.855 20 30 GFEDMO C=CCCO[C@@H](C)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456596748 564619662 /nfs/dbraw/zinc/61/96/62/564619662.db2.gz UBBZXEUWYIIDPO-ZDUSSCGKSA-N 1 1 397.317 2.516 20 30 GFEDMO C[C@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)CC[N@H+]1CC(C)(C)O ZINC000487872570 564698330 /nfs/dbraw/zinc/69/83/30/564698330.db2.gz DECXPOAZNRPKMT-LBPRGKRZSA-N 1 1 395.301 2.630 20 30 GFEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC)CCOc1ccc(Br)cc1 ZINC000489322707 564735812 /nfs/dbraw/zinc/73/58/12/564735812.db2.gz FBUCCQDQKJIYFI-ZDUSSCGKSA-N 1 1 398.301 2.550 20 30 GFEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000489445941 564739526 /nfs/dbraw/zinc/73/95/26/564739526.db2.gz YNHFDTNLMYIEHO-ZDUSSCGKSA-N 1 1 380.286 2.544 20 30 GFEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000489445941 564739531 /nfs/dbraw/zinc/73/95/31/564739531.db2.gz YNHFDTNLMYIEHO-ZDUSSCGKSA-N 1 1 380.286 2.544 20 30 GFEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000592184552 565261470 /nfs/dbraw/zinc/26/14/70/565261470.db2.gz JYKMVILZHJTRJX-CQSZACIVSA-N 1 1 390.203 2.821 20 30 GFEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000592184552 565261474 /nfs/dbraw/zinc/26/14/74/565261474.db2.gz JYKMVILZHJTRJX-CQSZACIVSA-N 1 1 390.203 2.821 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000594770504 565418181 /nfs/dbraw/zinc/41/81/81/565418181.db2.gz HDUZSNUAUQCNFN-GOEBONIOSA-N 1 1 375.519 2.796 20 30 GFEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000594770504 565418187 /nfs/dbraw/zinc/41/81/87/565418187.db2.gz HDUZSNUAUQCNFN-GOEBONIOSA-N 1 1 375.519 2.796 20 30 GFEDMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598586989 565628920 /nfs/dbraw/zinc/62/89/20/565628920.db2.gz GKYPAKCEJWWEFZ-CQSZACIVSA-N 1 1 382.302 2.929 20 30 GFEDMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598586989 565628926 /nfs/dbraw/zinc/62/89/26/565628926.db2.gz GKYPAKCEJWWEFZ-CQSZACIVSA-N 1 1 382.302 2.929 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccccc1CC#N)c1ccc(Cl)cc1 ZINC000601411889 565782825 /nfs/dbraw/zinc/78/28/25/565782825.db2.gz IEJOUMGQMBOOAP-QGZVFWFLSA-N 1 1 377.897 2.987 20 30 GFEDMO CC(C)[C@@H](C#N)N1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000602796647 565868325 /nfs/dbraw/zinc/86/83/25/565868325.db2.gz RIVMWXWCNKCIHR-SJLPKXTDSA-N 1 1 386.323 2.899 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000656985037 566200132 /nfs/dbraw/zinc/20/01/32/566200132.db2.gz LTHOPPDNQPUGBE-LRDDRELGSA-N 1 1 398.301 2.855 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000656985037 566200136 /nfs/dbraw/zinc/20/01/36/566200136.db2.gz LTHOPPDNQPUGBE-LRDDRELGSA-N 1 1 398.301 2.855 20 30 GFEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000822801785 606072968 /nfs/dbraw/zinc/07/29/68/606072968.db2.gz ONMRCXUXFGEKJZ-FQEVSTJZSA-N 1 1 398.474 2.502 20 30 GFEDMO N#Cc1cccc(OCCC[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826387431 608071868 /nfs/dbraw/zinc/07/18/68/608071868.db2.gz VCGDLZKEPPCRBE-HXUWFJFHSA-N 1 1 390.447 2.581 20 30 GFEDMO N#Cc1cccc(OCCC[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826387431 608071869 /nfs/dbraw/zinc/07/18/69/608071869.db2.gz VCGDLZKEPPCRBE-HXUWFJFHSA-N 1 1 390.447 2.581 20 30 GFEDMO C=CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823909993 608631396 /nfs/dbraw/zinc/63/13/96/608631396.db2.gz VIXPYOYAIFIRHY-UHFFFAOYSA-N 1 1 390.491 2.892 20 30 GFEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cc(Cl)sc1Cl ZINC000834925655 660837747 /nfs/dbraw/zinc/83/77/47/660837747.db2.gz QBHDACAEQRUFTE-UHFFFAOYSA-N 1 1 381.354 2.575 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000836443651 660906079 /nfs/dbraw/zinc/90/60/79/660906079.db2.gz IOVPUKFWELNKLV-HNNXBMFYSA-N 1 1 380.286 2.527 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000836491160 660910555 /nfs/dbraw/zinc/91/05/55/660910555.db2.gz JBIZRGMNTUDOBO-OAHLLOKOSA-N 1 1 382.277 2.830 20 30 GFEDMO C#C[C@H](NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000836519944 660913190 /nfs/dbraw/zinc/91/31/90/660913190.db2.gz OZJIVRHNXLTLNC-WMZOPIPTSA-N 1 1 376.298 2.861 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 ZINC000059746846 654825767 /nfs/dbraw/zinc/82/57/67/654825767.db2.gz LJAFAONBSTYBII-QGZVFWFLSA-N 1 1 381.860 2.932 20 30 GFEDMO Cc1csc(N2CCC[N@@H+](CCC(=O)Nc3sccc3C#N)CC2)n1 ZINC000064636752 654873235 /nfs/dbraw/zinc/87/32/35/654873235.db2.gz ZGURQIYJBGOWOX-UHFFFAOYSA-N 1 1 375.523 2.926 20 30 GFEDMO CC(C)(C#N)CC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000272065584 655101725 /nfs/dbraw/zinc/10/17/25/655101725.db2.gz XWTTWZCYFDILMY-UHFFFAOYSA-N 1 1 393.329 2.945 20 30 GFEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1Cl ZINC000109758024 655151522 /nfs/dbraw/zinc/15/15/22/655151522.db2.gz BXELJWZKMAOYEO-HIFRSBDPSA-N 1 1 375.778 2.928 20 30 GFEDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000173322589 655168198 /nfs/dbraw/zinc/16/81/98/655168198.db2.gz OPIIFMSNSLOANP-CRAIPNDOSA-N 1 1 375.519 2.981 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)sc2C)CC1 ZINC000176599322 655250796 /nfs/dbraw/zinc/25/07/96/655250796.db2.gz JSFJIVONPIGQNK-UHFFFAOYSA-N 1 1 379.345 2.748 20 30 GFEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC1(Cl)Cl ZINC000119461352 655304624 /nfs/dbraw/zinc/30/46/24/655304624.db2.gz FHCLBJNBVJKNKO-QGZVFWFLSA-N 1 1 382.287 2.997 20 30 GFEDMO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)COc3ccc(Br)cc3)CC2)C1 ZINC000293148570 655359459 /nfs/dbraw/zinc/35/94/59/655359459.db2.gz QTGCUEXGRZANEU-HOCLYGCPSA-N 1 1 392.297 2.664 20 30 GFEDMO C[NH+]=C(NCc1cc(F)ccc1Br)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261948101 655443242 /nfs/dbraw/zinc/44/32/42/655443242.db2.gz GMBQTBFNRUHWDW-MEDUHNTESA-N 1 1 383.309 2.736 20 30 GFEDMO C[NH+]=C(NCC1(N(C)C)CCOCC1)N(C)Cc1ccc(Br)cc1 ZINC000262829855 655447285 /nfs/dbraw/zinc/44/72/85/655447285.db2.gz ZMKITNMNBHKRTG-UHFFFAOYSA-N 1 1 397.361 2.567 20 30 GFEDMO C#CC[N@@H+](C[C@@H](O)COC(C)C)[C@H]1CCOc2ccc(Br)cc21 ZINC000733613819 655618571 /nfs/dbraw/zinc/61/85/71/655618571.db2.gz MXWWWCKKKWXHAH-WBVHZDCISA-N 1 1 382.298 2.994 20 30 GFEDMO C#CC[N@H+](C[C@@H](O)COC(C)C)[C@H]1CCOc2ccc(Br)cc21 ZINC000733613819 655618573 /nfs/dbraw/zinc/61/85/73/655618573.db2.gz MXWWWCKKKWXHAH-WBVHZDCISA-N 1 1 382.298 2.994 20 30 GFEDMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735308700 655644576 /nfs/dbraw/zinc/64/45/76/655644576.db2.gz PQIZDNZEWQDYBQ-MRXNPFEDSA-N 1 1 385.917 2.536 20 30 GFEDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735308700 655644578 /nfs/dbraw/zinc/64/45/78/655644578.db2.gz PQIZDNZEWQDYBQ-MRXNPFEDSA-N 1 1 385.917 2.536 20 30 GFEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@@H](O)c3ccccc3Br)C2)nc1 ZINC000794832719 658620421 /nfs/dbraw/zinc/62/04/21/658620421.db2.gz MUCPDJQZQDGROW-WMLDXEAASA-N 1 1 388.265 2.902 20 30 GFEDMO N#Cc1ccc(O[C@H]2CC[N@H+](C[C@@H](O)c3ccccc3Br)C2)nc1 ZINC000794832719 658620438 /nfs/dbraw/zinc/62/04/38/658620438.db2.gz MUCPDJQZQDGROW-WMLDXEAASA-N 1 1 388.265 2.902 20 30 GFEDMO C[NH+]1CCN(c2ncc(C=[NH+][N-]c3cc(F)ccc3Br)cn2)CC1 ZINC000841656115 661307456 /nfs/dbraw/zinc/30/74/56/661307456.db2.gz WMJVQNOEVUZGQV-UHFFFAOYSA-N 1 1 393.264 2.576 20 30 GFEDMO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000850369276 661773057 /nfs/dbraw/zinc/77/30/57/661773057.db2.gz SVTFBPZZEQYAMZ-WFASDCNBSA-N 1 1 386.311 2.516 20 30 GFEDMO Cn1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c(Br)n1 ZINC000858289164 662107273 /nfs/dbraw/zinc/10/72/73/662107273.db2.gz DBUNGDOVIQTYGO-UHFFFAOYSA-N 1 1 375.270 2.850 20 30 GFEDMO C#CC[N@H+](CCc1cn(C)nn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000859140196 662140289 /nfs/dbraw/zinc/14/02/89/662140289.db2.gz LBUYOCIWEUNHKY-INIZCTEOSA-N 1 1 375.270 2.579 20 30 GFEDMO COCO[C@H](C)c1cc(F)c(C=NNC2=[NH+]C[C@H](C)N2)cc1Br ZINC000863104658 662312120 /nfs/dbraw/zinc/31/21/20/662312120.db2.gz CPPZNTFRJXFFSD-VHSXEESVSA-N 1 1 387.253 2.541 20 30 GFEDMO C=CC[NH+]1CCC(NS(=O)(=O)Cc2cc(C)ccc2Br)CC1 ZINC000866743992 662493662 /nfs/dbraw/zinc/49/36/62/662493662.db2.gz AWIKEBMXKFDARF-UHFFFAOYSA-N 1 1 387.343 2.827 20 30 GFEDMO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCC1(C)C ZINC000867681273 662567040 /nfs/dbraw/zinc/56/70/40/662567040.db2.gz BCQOWBIWIPTDSM-UHFFFAOYSA-N 1 1 375.416 2.682 20 30 GFEDMO COc1ccc(Br)c([C@@H](CO)[N@H+](C)C[C@@H](O)CC2(C#N)CCC2)c1 ZINC000886228901 663105339 /nfs/dbraw/zinc/10/53/39/663105339.db2.gz HPINOFZTLPLFTH-SUMWQHHRSA-N 1 1 397.313 2.868 20 30 GFEDMO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)c1 ZINC000886228901 663105340 /nfs/dbraw/zinc/10/53/40/663105340.db2.gz HPINOFZTLPLFTH-SUMWQHHRSA-N 1 1 397.313 2.868 20 30 GFEDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Nc2nc(Cl)c(C#N)s2)C[C@@H](C)O1 ZINC000888411070 663195521 /nfs/dbraw/zinc/19/55/21/663195521.db2.gz LTQAQPIYMKZOHF-IJLUTSLNSA-N 1 1 383.905 2.774 20 30 GFEDMO CC(C)(C)OC(=O)N[C@@H]1CC(=[NH+]n2cc(Br)cn2)C12CCOCC2 ZINC000901208882 663732361 /nfs/dbraw/zinc/73/23/61/663732361.db2.gz ZUCOZACORGIYSZ-GFCCVEGCSA-N 1 1 399.289 2.944 20 30 GFEDMO C=C(C[NH+](C)C)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1 ZINC000911255011 664241409 /nfs/dbraw/zinc/24/14/09/664241409.db2.gz ZLOJXUQQVHXZDR-KRWDZBQOSA-N 1 1 389.297 2.764 20 30 GFEDMO C=CCn1nnn(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)c1=S ZINC000919940460 664520075 /nfs/dbraw/zinc/52/00/75/664520075.db2.gz XGMDUMAHOBPXFQ-AWEZNQCLSA-N 1 1 378.933 2.985 20 30 GFEDMO O=C(C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)N1CCCC1 ZINC000932941498 664843587 /nfs/dbraw/zinc/84/35/87/664843587.db2.gz CEBNTZHWOORESA-RKDXNWHRSA-N 1 1 380.279 2.712 20 30 GFEDMO CCN(CC)C(=O)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946112 664844232 /nfs/dbraw/zinc/84/42/32/664844232.db2.gz MZXLXSSOGNUDJV-IUCAKERBSA-N 1 1 382.295 2.958 20 30 GFEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2cnc(C#N)c(C#N)n2)CC3)cs1 ZINC001164691641 719814549 /nfs/dbraw/zinc/81/45/49/719814549.db2.gz IWBMJAFCCAFCHQ-UHFFFAOYSA-N 1 1 379.493 2.620 20 30 GFEDMO COc1cc(C#N)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164698406 719893568 /nfs/dbraw/zinc/89/35/68/719893568.db2.gz SJIQXZSTAGZTBD-UHFFFAOYSA-N 1 1 384.505 2.895 20 30 GFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C#N)cc1F)CC2 ZINC001164713618 720129857 /nfs/dbraw/zinc/12/98/57/720129857.db2.gz SZOBDIHSYXTXOI-LJQANCHMSA-N 1 1 395.482 2.995 20 30 GFEDMO CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164724892 720327982 /nfs/dbraw/zinc/32/79/82/720327982.db2.gz LKJDRGOSOGIPCO-HUUCEWRRSA-N 1 1 386.912 2.972 20 30 GFEDMO Cc1cc(C#N)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1C ZINC001164743269 720823222 /nfs/dbraw/zinc/82/32/22/720823222.db2.gz RTAQSZOGAIIDGF-QHAWAJNXSA-N 1 1 391.523 2.541 20 30 GFEDMO N#CC1(c2ccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc2)CCOCC1 ZINC001164785568 721422950 /nfs/dbraw/zinc/42/29/50/721422950.db2.gz NRGSXXDQGCKIFI-CALCHBBNSA-N 1 1 395.532 2.678 20 30 GFEDMO N#CC1(c2ccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc2)CCOCC1 ZINC001164785568 721422953 /nfs/dbraw/zinc/42/29/53/721422953.db2.gz NRGSXXDQGCKIFI-CALCHBBNSA-N 1 1 395.532 2.678 20 30 GFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(Cl)c(C#N)n2)[C@H]2CCCO[C@@H]12 ZINC001164802453 721532026 /nfs/dbraw/zinc/53/20/26/721532026.db2.gz GJWZGYLWGHGXQZ-NLWGTHIKSA-N 1 1 383.883 2.870 20 30 GFEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4[nH]cc(C#N)c43)C[C@@H]21 ZINC001165026298 721799214 /nfs/dbraw/zinc/79/92/14/721799214.db2.gz QIRKSIPHMMKFQA-ZYSHUDEJSA-N 1 1 387.491 2.961 20 30 GFEDMO N#Cc1cnc(Cl)cc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986039 722103069 /nfs/dbraw/zinc/10/30/69/722103069.db2.gz XUMQNUXRACBAAM-QFBILLFUSA-N 1 1 383.883 2.729 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(F)cc1 ZINC000156640747 551526607 /nfs/dbraw/zinc/52/66/07/551526607.db2.gz DXECHJCMRMTAGU-INIZCTEOSA-N 1 1 381.860 2.932 20 30 GFEDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CCCSCC#N)C2)cc1 ZINC000174134034 552099968 /nfs/dbraw/zinc/09/99/68/552099968.db2.gz JQJBRFYSVCQVIP-QGZVFWFLSA-N 1 1 381.567 2.632 20 30 GFEDMO C[C@H](C#N)CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000182723687 552291411 /nfs/dbraw/zinc/29/14/11/552291411.db2.gz DWTHOUGXAOGZIZ-CYBMUJFWSA-N 1 1 379.302 2.872 20 30 GFEDMO C[S@@](=O)C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000183114333 552301095 /nfs/dbraw/zinc/30/10/95/552301095.db2.gz NVPVFSRTHRQZCE-CRICUBBOSA-N 1 1 375.881 2.860 20 30 GFEDMO C=CC[N@H+](CCOC)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000191076997 552518307 /nfs/dbraw/zinc/51/83/07/552518307.db2.gz YBMXNSCLFRDOJE-CYBMUJFWSA-N 1 1 378.694 2.977 20 30 GFEDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccccc1 ZINC000248473988 553130335 /nfs/dbraw/zinc/13/03/35/553130335.db2.gz LOEJMAAITIBKHQ-SJLPKXTDSA-N 1 1 375.881 2.935 20 30 GFEDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccccc1 ZINC000248473988 553130338 /nfs/dbraw/zinc/13/03/38/553130338.db2.gz LOEJMAAITIBKHQ-SJLPKXTDSA-N 1 1 375.881 2.935 20 30 GFEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000428994303 563506366 /nfs/dbraw/zinc/50/63/66/563506366.db2.gz FKKOFDUAAQTANO-BLLLJJGKSA-N 1 1 385.277 2.800 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](C[C@@H](O)CO)C(C)C)cc1OC ZINC000421407628 563309253 /nfs/dbraw/zinc/30/92/53/563309253.db2.gz JQFUMLFZOIZCTC-CQSZACIVSA-N 1 1 388.302 2.586 20 30 GFEDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Br)cn1 ZINC000280364697 563333649 /nfs/dbraw/zinc/33/36/49/563333649.db2.gz JZQAGURYVIYABD-LBPRGKRZSA-N 1 1 394.294 2.840 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422484213 563340772 /nfs/dbraw/zinc/34/07/72/563340772.db2.gz CAHYKKWMUDCQDT-CQSZACIVSA-N 1 1 383.945 2.764 20 30 GFEDMO C=CCn1cc(C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)nn1 ZINC000424293074 563376005 /nfs/dbraw/zinc/37/60/05/563376005.db2.gz HYVYOPFJZAKNJT-GFCCVEGCSA-N 1 1 378.274 2.734 20 30 GFEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000329239177 563476451 /nfs/dbraw/zinc/47/64/51/563476451.db2.gz QDJSXTBLCYJFIV-HUUCEWRRSA-N 1 1 385.555 2.732 20 30 GFEDMO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000329378230 563478882 /nfs/dbraw/zinc/47/88/82/563478882.db2.gz OXHLYHIPGTUDHJ-AWEZNQCLSA-N 1 1 393.329 2.984 20 30 GFEDMO C[C@@H]1C[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC[N@H+]1C ZINC000329592040 563483044 /nfs/dbraw/zinc/48/30/44/563483044.db2.gz BURVEUFFJOIYEZ-KGLIPLIRSA-N 1 1 385.555 2.710 20 30 GFEDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000329624622 563483935 /nfs/dbraw/zinc/48/39/35/563483935.db2.gz OGWJRRROSAKUHB-HNNXBMFYSA-N 1 1 382.302 2.872 20 30 GFEDMO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000330268231 563500019 /nfs/dbraw/zinc/50/00/19/563500019.db2.gz QZZOFTNMOSVXHC-ZDUSSCGKSA-N 1 1 381.267 2.900 20 30 GFEDMO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000330938425 563527914 /nfs/dbraw/zinc/52/79/14/563527914.db2.gz BYDRIENXMYUDRR-DMDPSCGWSA-N 1 1 387.311 2.767 20 30 GFEDMO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000330938425 563527918 /nfs/dbraw/zinc/52/79/18/563527918.db2.gz BYDRIENXMYUDRR-DMDPSCGWSA-N 1 1 387.311 2.767 20 30 GFEDMO C[NH+]1CCN(C(=O)c2ccc(CNc3nc(Cl)c(C#N)s3)cc2)CC1 ZINC000285992092 563545014 /nfs/dbraw/zinc/54/50/14/563545014.db2.gz CTMFODJROYVXAP-UHFFFAOYSA-N 1 1 375.885 2.668 20 30 GFEDMO CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435431801 563650367 /nfs/dbraw/zinc/65/03/67/563650367.db2.gz FVPDOCIHGOQSDM-INIZCTEOSA-N 1 1 375.519 2.905 20 30 GFEDMO CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435431801 563650368 /nfs/dbraw/zinc/65/03/68/563650368.db2.gz FVPDOCIHGOQSDM-INIZCTEOSA-N 1 1 375.519 2.905 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](CC(N)=O)C2)cc1OC ZINC000367710823 563852960 /nfs/dbraw/zinc/85/29/60/563852960.db2.gz WEOJOENGCVVEHN-GFCCVEGCSA-N 1 1 383.286 2.720 20 30 GFEDMO CN(CCC#N)C(=O)CC[N@@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000368924260 563882431 /nfs/dbraw/zinc/88/24/31/563882431.db2.gz JHHODDCBTREXTI-OAHLLOKOSA-N 1 1 380.286 2.967 20 30 GFEDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)COc1cccc(Br)c1C#N ZINC000449796421 564202022 /nfs/dbraw/zinc/20/20/22/564202022.db2.gz UDHHSOYAHUIPER-GFCCVEGCSA-N 1 1 391.269 2.657 20 30 GFEDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449881176 564207702 /nfs/dbraw/zinc/20/77/02/564207702.db2.gz CFHVPDBDGQTZPA-ZFWWWQNUSA-N 1 1 392.297 2.785 20 30 GFEDMO CC[N@H+]1CC[C@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)[C@@H](C)C1 ZINC000449987577 564212639 /nfs/dbraw/zinc/21/26/39/564212639.db2.gz QRPOREPEYGQNCU-GUYCJALGSA-N 1 1 394.313 2.888 20 30 GFEDMO CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000510645468 564342419 /nfs/dbraw/zinc/34/24/19/564342419.db2.gz DVFVOSMXRLAFMX-UHFFFAOYSA-N 1 1 381.885 2.947 20 30 GFEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000451882201 564362403 /nfs/dbraw/zinc/36/24/03/564362403.db2.gz CJCHLUYAVOIHAO-IAQYHMDHSA-N 1 1 375.778 2.785 20 30 GFEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)cc1OCC ZINC000571959506 564574700 /nfs/dbraw/zinc/57/47/00/564574700.db2.gz BPZKOPDJXCJZOS-HUUCEWRRSA-N 1 1 386.286 2.604 20 30 GFEDMO COCC[N@H+](CCC(=O)N(C)CCC#N)Cc1sccc1Br ZINC000484933897 564603145 /nfs/dbraw/zinc/60/31/45/564603145.db2.gz HRXXZRZIWCFYRK-UHFFFAOYSA-N 1 1 388.331 2.721 20 30 GFEDMO COCC[N@@H+](CCC(=O)N(C)CCC#N)Cc1sccc1Br ZINC000484933897 564603147 /nfs/dbraw/zinc/60/31/47/564603147.db2.gz HRXXZRZIWCFYRK-UHFFFAOYSA-N 1 1 388.331 2.721 20 30 GFEDMO C[C@@H]1C[N@@H+](C[C@@H](O)CSc2nc(C(F)(F)F)ccc2C#N)C[C@H](C)O1 ZINC000488583921 564715822 /nfs/dbraw/zinc/71/58/22/564715822.db2.gz PTBXKXOUQLCGKM-NTZNESFSSA-N 1 1 375.416 2.534 20 30 GFEDMO C[C@@H]1C[N@H+](C[C@@H](O)CSc2nc(C(F)(F)F)ccc2C#N)C[C@H](C)O1 ZINC000488583921 564715826 /nfs/dbraw/zinc/71/58/26/564715826.db2.gz PTBXKXOUQLCGKM-NTZNESFSSA-N 1 1 375.416 2.534 20 30 GFEDMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1ccsc1 ZINC000490411822 564770129 /nfs/dbraw/zinc/77/01/29/564770129.db2.gz SMVOFHAOTRIBSC-OAHLLOKOSA-N 1 1 376.869 2.631 20 30 GFEDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492671654 564803734 /nfs/dbraw/zinc/80/37/34/564803734.db2.gz KTKDCOJSOMREMS-UKRRQHHQSA-N 1 1 394.313 2.684 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000581582627 564809280 /nfs/dbraw/zinc/80/92/80/564809280.db2.gz BRGMYHFPLPHGMZ-INIZCTEOSA-N 1 1 381.860 2.932 20 30 GFEDMO C=CCN1CC[C@@H]([N@H+](CCC(=O)OC)Cc2cccc(Br)c2)C1=O ZINC000499710330 564933999 /nfs/dbraw/zinc/93/39/99/564933999.db2.gz UMVLQRFCPSWUGE-MRXNPFEDSA-N 1 1 395.297 2.601 20 30 GFEDMO C=CCN1CC[C@@H]([N@@H+](CCC(=O)OC)Cc2cccc(Br)c2)C1=O ZINC000499710330 564934001 /nfs/dbraw/zinc/93/40/01/564934001.db2.gz UMVLQRFCPSWUGE-MRXNPFEDSA-N 1 1 395.297 2.601 20 30 GFEDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000584860130 565101027 /nfs/dbraw/zinc/10/10/27/565101027.db2.gz MQBIBWMTMGQURQ-LBPRGKRZSA-N 1 1 377.432 2.976 20 30 GFEDMO C=CC[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)[C@@H](C)COC ZINC000661243741 565315767 /nfs/dbraw/zinc/31/57/67/565315767.db2.gz MIMZRVNPDHSZGZ-LBPRGKRZSA-N 1 1 375.332 2.992 20 30 GFEDMO C=CC[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)[C@@H](C)COC ZINC000661243741 565315770 /nfs/dbraw/zinc/31/57/70/565315770.db2.gz MIMZRVNPDHSZGZ-LBPRGKRZSA-N 1 1 375.332 2.992 20 30 GFEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593518877 565337161 /nfs/dbraw/zinc/33/71/61/565337161.db2.gz UYCQDCLRTLKJJD-CQSZACIVSA-N 1 1 378.314 2.957 20 30 GFEDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccsc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000593561033 565341546 /nfs/dbraw/zinc/34/15/46/565341546.db2.gz YLCQDGBQLVZFFG-HOCLYGCPSA-N 1 1 375.519 2.951 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1Br ZINC000594485088 565394875 /nfs/dbraw/zinc/39/48/75/565394875.db2.gz WALHNRQTQSLCBH-HZPDHXFCSA-N 1 1 398.326 2.616 20 30 GFEDMO CCN1CC[NH+](Cc2ccccc2CNc2nc(C#N)c(Cl)s2)CC1 ZINC000596073197 565512308 /nfs/dbraw/zinc/51/23/08/565512308.db2.gz HFZQDLGLAHQXAY-UHFFFAOYSA-N 1 1 375.929 2.840 20 30 GFEDMO CCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000598040245 565589469 /nfs/dbraw/zinc/58/94/69/565589469.db2.gz NXMQLUYVLJIXGT-CQSZACIVSA-N 1 1 380.286 2.642 20 30 GFEDMO C[NH+](C)C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000599627795 565693188 /nfs/dbraw/zinc/69/31/88/565693188.db2.gz OLCQRNGVNJZLTJ-SJLPKXTDSA-N 1 1 383.323 2.994 20 30 GFEDMO Cc1cc(N2CC[C@H]([NH2+]Cc3cccc(C#N)n3)C2=O)ccc1Br ZINC000602618836 565858124 /nfs/dbraw/zinc/85/81/24/565858124.db2.gz UMKYEJFXPSHFCO-KRWDZBQOSA-N 1 1 385.265 2.919 20 30 GFEDMO C=CC[N@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)CC1CCCCC1 ZINC000819743767 606188733 /nfs/dbraw/zinc/18/87/33/606188733.db2.gz PTUFMFVWUWEGGC-UHFFFAOYSA-N 1 1 389.525 2.709 20 30 GFEDMO C=CC[N@@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)CC1CCCCC1 ZINC000819743767 606188735 /nfs/dbraw/zinc/18/87/35/606188735.db2.gz PTUFMFVWUWEGGC-UHFFFAOYSA-N 1 1 389.525 2.709 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1cccc(F)c1 ZINC000055216645 654771630 /nfs/dbraw/zinc/77/16/30/654771630.db2.gz HKJAXJWWIGNRTL-KRWDZBQOSA-N 1 1 381.860 2.932 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000838622742 661050989 /nfs/dbraw/zinc/05/09/89/661050989.db2.gz ZKKLFXBQXVUVSS-IRXDYDNUSA-N 1 1 384.307 2.548 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000729811972 655568850 /nfs/dbraw/zinc/56/88/50/655568850.db2.gz ICGZSWGFSNSYSW-OLZOCXBDSA-N 1 1 383.275 2.753 20 30 GFEDMO C#CC[N@@H+](CCN1CCOCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733197507 655609057 /nfs/dbraw/zinc/60/90/57/655609057.db2.gz RIVQZFAUFYLVHS-KRWDZBQOSA-N 1 1 379.298 2.540 20 30 GFEDMO C#CC[N@H+](CCN1CCOCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733197507 655609060 /nfs/dbraw/zinc/60/90/60/655609060.db2.gz RIVQZFAUFYLVHS-KRWDZBQOSA-N 1 1 379.298 2.540 20 30 GFEDMO N#Cc1c(F)cccc1S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000750971141 655819384 /nfs/dbraw/zinc/81/93/84/655819384.db2.gz FCRMLPRFFXKOTB-OAHLLOKOSA-N 1 1 379.482 2.874 20 30 GFEDMO Brc1ccc(-n2cc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)cn2)cc1 ZINC000753932989 655861092 /nfs/dbraw/zinc/86/10/92/655861092.db2.gz AGLSOPAPKVOJQR-HZPDHXFCSA-N 1 1 387.285 2.829 20 30 GFEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCCC1=[NH+]n1cc(Br)cn1 ZINC000766024150 656157936 /nfs/dbraw/zinc/15/79/36/656157936.db2.gz ANTMLTLREBTYGA-CMPLNLGQSA-N 1 1 387.278 2.799 20 30 GFEDMO C#CC[N@H+](C)CCCNC(=O)C1(c2cc(Br)ccc2OC)CC1 ZINC000841439358 661265694 /nfs/dbraw/zinc/26/56/94/661265694.db2.gz NLMIBFHZWJNNNP-UHFFFAOYSA-N 1 1 379.298 2.561 20 30 GFEDMO CCOc1cc(C=NNC2=[NH+]C[C@@H](C)N2)cc(Br)c1OC(F)F ZINC000779792830 656943110 /nfs/dbraw/zinc/94/31/10/656943110.db2.gz VCXPJUPJWLYXBQ-MRVPVSSYSA-N 1 1 391.216 2.720 20 30 GFEDMO C#CC[NH+]1CCC(C(=O)OCc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000789058599 657815132 /nfs/dbraw/zinc/81/51/32/657815132.db2.gz SRBFOPBADRGLDF-UHFFFAOYSA-N 1 1 376.254 2.714 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000791076200 658057989 /nfs/dbraw/zinc/05/79/89/658057989.db2.gz FPQZLVMKMSJXDJ-ROUUACIJSA-N 1 1 390.325 2.950 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000791076200 658058005 /nfs/dbraw/zinc/05/80/05/658058005.db2.gz FPQZLVMKMSJXDJ-ROUUACIJSA-N 1 1 390.325 2.950 20 30 GFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc2cc(Br)ccc2n1CC ZINC000791957759 658209805 /nfs/dbraw/zinc/20/98/05/658209805.db2.gz IPCBKVVGLKMICZ-INIZCTEOSA-N 1 1 389.297 2.533 20 30 GFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc2cc(Br)ccc2n1CC ZINC000791957759 658209825 /nfs/dbraw/zinc/20/98/25/658209825.db2.gz IPCBKVVGLKMICZ-INIZCTEOSA-N 1 1 389.297 2.533 20 30 GFEDMO C[NH+]1CCN([C@@H](C(=O)Nc2nc(Cl)c(C#N)s2)c2ccccc2)CC1 ZINC000813370091 660052210 /nfs/dbraw/zinc/05/22/10/660052210.db2.gz VIWYCRGXDGTLLS-CQSZACIVSA-N 1 1 375.885 2.595 20 30 GFEDMO Clc1cc2c(c(Br)c1)OCC2=NNCCC[NH+]1CCOCC1 ZINC000814923602 660098539 /nfs/dbraw/zinc/09/85/39/660098539.db2.gz LHYYYPYMFNFYID-UHFFFAOYSA-N 1 1 388.693 2.511 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000852359915 661862266 /nfs/dbraw/zinc/86/22/66/661862266.db2.gz PITLAQDWBNDWLL-INIZCTEOSA-N 1 1 396.354 2.991 20 30 GFEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC3SCCS3)CC2)cc1 ZINC000852663253 661869734 /nfs/dbraw/zinc/86/97/34/661869734.db2.gz BSGCYSRZLWPXHT-UHFFFAOYSA-N 1 1 376.551 2.582 20 30 GFEDMO C[N@@H+](CC(=O)Nc1ccccc1Br)C[C@H](O)CC1(C#N)CCC1 ZINC000885947002 663101899 /nfs/dbraw/zinc/10/18/99/663101899.db2.gz XFYXHAYNHLLYSV-CYBMUJFWSA-N 1 1 380.286 2.764 20 30 GFEDMO C[N@H+](CC(=O)Nc1ccccc1Br)C[C@H](O)CC1(C#N)CCC1 ZINC000885947002 663101901 /nfs/dbraw/zinc/10/19/01/663101901.db2.gz XFYXHAYNHLLYSV-CYBMUJFWSA-N 1 1 380.286 2.764 20 30 GFEDMO C[N@H+]1CCC[C@H](CNC(=O)NCc2nc(C#N)cs2)[C@H]1c1cccs1 ZINC000893198947 663401022 /nfs/dbraw/zinc/40/10/22/663401022.db2.gz JESFTWGTGVILPH-WBMJQRKESA-N 1 1 375.523 2.959 20 30 GFEDMO C[N@@H+]1CC[C@H](NC(=O)NCc2nc(C#N)cs2)[C@@H]1c1ccc(Cl)cc1 ZINC000893893666 663430559 /nfs/dbraw/zinc/43/05/59/663430559.db2.gz COMIGBJCKWJROB-HOCLYGCPSA-N 1 1 375.885 2.913 20 30 GFEDMO C[N@H+]1CC[C@H](NC(=O)NCc2nc(C#N)cs2)[C@@H]1c1ccc(Cl)cc1 ZINC000893893666 663430561 /nfs/dbraw/zinc/43/05/61/663430561.db2.gz COMIGBJCKWJROB-HOCLYGCPSA-N 1 1 375.885 2.913 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000914383862 664404990 /nfs/dbraw/zinc/40/49/90/664404990.db2.gz FXWBIYOPZOATAW-CQSZACIVSA-N 1 1 377.432 2.777 20 30 GFEDMO C=CCN(C)S(=O)(=O)c1ccc(NCc2ncc(C[NH+](C)C)s2)cc1 ZINC000922375197 664597530 /nfs/dbraw/zinc/59/75/30/664597530.db2.gz WPMYJHGVCZMKJS-UHFFFAOYSA-N 1 1 380.539 2.623 20 30 GFEDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(C#N)cc1I ZINC000932550517 664826328 /nfs/dbraw/zinc/82/63/28/664826328.db2.gz DIXPZQZRZNODNE-WDEREUQCSA-N 1 1 398.248 2.719 20 30 GFEDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C#N)cc2I)CC[N@H+]1C ZINC000932557411 664828598 /nfs/dbraw/zinc/82/85/98/664828598.db2.gz KRCKRXDRJGBDQF-PWSUYJOCSA-N 1 1 398.248 2.767 20 30 GFEDMO O=C1CCCN1CC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943173 664843904 /nfs/dbraw/zinc/84/39/04/664843904.db2.gz IJICNAMKIDIMMD-DTORHVGOSA-N 1 1 380.279 2.712 20 30 GFEDMO N#Cc1nc(Cl)c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1C#N ZINC001164629328 719078814 /nfs/dbraw/zinc/07/88/14/719078814.db2.gz XKVCDQAFHQKRRK-CRAIPNDOSA-N 1 1 378.867 2.974 20 30 GFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)ncc1C#N)CC2 ZINC001164716340 720110373 /nfs/dbraw/zinc/11/03/73/720110373.db2.gz KLILOCLDJLEITP-HXUWFJFHSA-N 1 1 392.507 2.559 20 30 GFEDMO N#Cc1cnc(Cl)cc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742180 720813462 /nfs/dbraw/zinc/81/34/62/720813462.db2.gz CLFDLTJWOUORFB-BPQIPLTHSA-N 1 1 397.914 2.578 20 30 GFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C#N)c(C)n3)C2)C1 ZINC001164780298 721357418 /nfs/dbraw/zinc/35/74/18/721357418.db2.gz FUNFVTGVPQFNCK-QFIPXVFZSA-N 1 1 395.507 2.986 20 30 GFEDMO N#CC1(c2ccc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc2)CCOCC1 ZINC001164785585 721422802 /nfs/dbraw/zinc/42/28/02/721422802.db2.gz NRGSXXDQGCKIFI-IAGOWNOFSA-N 1 1 395.532 2.678 20 30 GFEDMO N#Cc1cnc2cc[nH]c(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c1-2 ZINC001164912425 721548765 /nfs/dbraw/zinc/54/87/65/721548765.db2.gz ZSMNWZCQBFBBIM-AEFFLSMTSA-N 1 1 377.423 2.916 20 30 GFEDMO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(C#N)n1 ZINC001164908077 721709502 /nfs/dbraw/zinc/70/95/02/721709502.db2.gz VDGFIDAPMUKFAK-LJQANCHMSA-N 1 1 384.434 2.789 20 30 GFEDMO N#CCc1cncc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908182 721720738 /nfs/dbraw/zinc/72/07/38/721720738.db2.gz WHYBIFBSAXQHAN-IBGZPJMESA-N 1 1 384.434 2.675 20 30 GFEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc4c(C#N)c[nH]c4n3)C[C@H]21 ZINC001165027316 721819926 /nfs/dbraw/zinc/81/99/26/721819926.db2.gz UHWMTZJFMIFNDV-CDHQVMDDSA-N 1 1 387.491 2.961 20 30 GFEDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccc(F)cc2)ccc1C#N ZINC001164932699 721850312 /nfs/dbraw/zinc/85/03/12/721850312.db2.gz ZOYWFCJXRDXNLS-NHCUHLMSSA-N 1 1 379.483 2.974 20 30 GFEDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccc(F)cc2)ccc1C#N ZINC001164932699 721850314 /nfs/dbraw/zinc/85/03/14/721850314.db2.gz ZOYWFCJXRDXNLS-NHCUHLMSSA-N 1 1 379.483 2.974 20 30 GFEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)nn2)cc1 ZINC001164930283 721850509 /nfs/dbraw/zinc/85/05/09/721850509.db2.gz REYZDZVMNOYYRE-NNWRFLSQSA-N 1 1 390.535 2.655 20 30 GFEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)nn2)cc1 ZINC001164930283 721850510 /nfs/dbraw/zinc/85/05/10/721850510.db2.gz REYZDZVMNOYYRE-NNWRFLSQSA-N 1 1 390.535 2.655 20 30 GFEDMO CCN(CCC#N)c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165048885 721987296 /nfs/dbraw/zinc/98/72/96/721987296.db2.gz PVZQOVLAFSOWLB-INIZCTEOSA-N 1 1 387.528 2.620 20 30 GFEDMO CCN(CCC#N)c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165048885 721987298 /nfs/dbraw/zinc/98/72/98/721987298.db2.gz PVZQOVLAFSOWLB-INIZCTEOSA-N 1 1 387.528 2.620 20 30 GFEDMO Cc1sc(NC(=O)C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c(C#N)c1C ZINC000183121942 552300848 /nfs/dbraw/zinc/30/08/48/552300848.db2.gz IBIXHHZSBLYKDN-PUAOIOHZSA-N 1 1 375.519 2.885 20 30 GFEDMO C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000184525796 552337382 /nfs/dbraw/zinc/33/73/82/552337382.db2.gz BHFOOTJWAMLHMG-HNNXBMFYSA-N 1 1 375.881 2.893 20 30 GFEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H](O)C(F)(F)F ZINC000189479080 552472678 /nfs/dbraw/zinc/47/26/78/552472678.db2.gz ZTWKBIYOJVIREJ-ZDUSSCGKSA-N 1 1 375.416 2.682 20 30 GFEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191788207 552538075 /nfs/dbraw/zinc/53/80/75/552538075.db2.gz PVJRBUCAXFIVQX-GOSISDBHSA-N 1 1 391.357 2.923 20 30 GFEDMO N#Cc1cc(Br)cnc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000294973890 563223840 /nfs/dbraw/zinc/22/38/40/563223840.db2.gz LYCXSICJVPNQPD-QGZVFWFLSA-N 1 1 387.281 2.894 20 30 GFEDMO C[C@@H]1CN(Cc2ccc(C#N)cc2Br)CC[N@@H+]1C1CCN(C)CC1 ZINC000374627668 563378050 /nfs/dbraw/zinc/37/80/50/563378050.db2.gz XHMQTAAOYQPTFI-OAHLLOKOSA-N 1 1 391.357 2.921 20 30 GFEDMO C[C@@H]1CN(Cc2ccc(C#N)cc2Br)CC[N@H+]1C1CCN(C)CC1 ZINC000374627668 563378055 /nfs/dbraw/zinc/37/80/55/563378055.db2.gz XHMQTAAOYQPTFI-OAHLLOKOSA-N 1 1 391.357 2.921 20 30 GFEDMO Cn1nccc1CC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000284443649 563474893 /nfs/dbraw/zinc/47/48/93/563474893.db2.gz QITOYOGTGGOKHJ-SFHVURJKSA-N 1 1 388.313 2.608 20 30 GFEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000329361674 563479009 /nfs/dbraw/zinc/47/90/09/563479009.db2.gz CORQWWHOKUPMNE-CABCVRRESA-N 1 1 385.555 2.732 20 30 GFEDMO COCC[N@@H+]1CCN(C(=O)Nc2cc(Br)cc(OC)c2)C[C@H]1C ZINC000330564586 563511126 /nfs/dbraw/zinc/51/11/26/563511126.db2.gz LIUBLYZEPLTSMH-GFCCVEGCSA-N 1 1 386.290 2.656 20 30 GFEDMO COCC[N@H+]1CCN(C(=O)Nc2cc(Br)cc(OC)c2)C[C@H]1C ZINC000330564586 563511128 /nfs/dbraw/zinc/51/11/28/563511128.db2.gz LIUBLYZEPLTSMH-GFCCVEGCSA-N 1 1 386.290 2.656 20 30 GFEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)C1 ZINC000330683088 563517661 /nfs/dbraw/zinc/51/76/61/563517661.db2.gz IKQQTDLIMQLPHY-LBPRGKRZSA-N 1 1 387.933 2.803 20 30 GFEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(Br)cnc2N(C)C)C1 ZINC000330733246 563518833 /nfs/dbraw/zinc/51/88/33/563518833.db2.gz KIKWBEKCIYIEHU-CQSZACIVSA-N 1 1 399.333 2.572 20 30 GFEDMO C[NH+](C)[C@]1(CNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CCSC1 ZINC000330999608 563530545 /nfs/dbraw/zinc/53/05/45/563530545.db2.gz WGQBABMJUFVQFD-HNNXBMFYSA-N 1 1 391.946 2.507 20 30 GFEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)[C@@H](C)C1 ZINC000331193228 563539283 /nfs/dbraw/zinc/53/92/83/563539283.db2.gz RWGHUDRLUOGMKP-WDEREUQCSA-N 1 1 377.819 2.874 20 30 GFEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1cccc(F)c1 ZINC000443096729 563791779 /nfs/dbraw/zinc/79/17/79/563791779.db2.gz SPJKKDDLBIOTEB-MRXNPFEDSA-N 1 1 381.860 2.932 20 30 GFEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cccc(C#N)c2Br)C[C@@H](C)O1 ZINC000448621801 563899007 /nfs/dbraw/zinc/89/90/07/563899007.db2.gz MOEVWWAIQHNCDE-CHWSQXEVSA-N 1 1 394.313 2.938 20 30 GFEDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449881175 564207632 /nfs/dbraw/zinc/20/76/32/564207632.db2.gz CFHVPDBDGQTZPA-UKRRQHHQSA-N 1 1 392.297 2.785 20 30 GFEDMO CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000510656779 564342217 /nfs/dbraw/zinc/34/22/17/564342217.db2.gz HTUXVRWTJPHMLE-UHFFFAOYSA-N 1 1 381.885 2.947 20 30 GFEDMO CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000510739609 564345714 /nfs/dbraw/zinc/34/57/14/564345714.db2.gz USZOJOBZZOIFMQ-UHFFFAOYSA-N 1 1 381.885 2.947 20 30 GFEDMO CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000452105493 564392426 /nfs/dbraw/zinc/39/24/26/564392426.db2.gz OHJNLBJNVDCITF-CYBMUJFWSA-N 1 1 375.416 2.680 20 30 GFEDMO Cc1nc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)sc1Br ZINC000568078308 564404424 /nfs/dbraw/zinc/40/44/24/564404424.db2.gz MXSVGTFTPDCUIP-ZDUSSCGKSA-N 1 1 396.310 2.810 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)c1ccc(Cl)cc1 ZINC000549234533 564588851 /nfs/dbraw/zinc/58/88/51/564588851.db2.gz KOPRLNWLLCMSPI-MRXNPFEDSA-N 1 1 381.860 2.932 20 30 GFEDMO C=CCCO[C@H](C)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456596747 564619541 /nfs/dbraw/zinc/61/95/41/564619541.db2.gz UBBZXEUWYIIDPO-CYBMUJFWSA-N 1 1 397.317 2.516 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000459657695 564755097 /nfs/dbraw/zinc/75/50/97/564755097.db2.gz IJSFUNPRZZTVKK-ZDUSSCGKSA-N 1 1 398.301 2.544 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000459657695 564755101 /nfs/dbraw/zinc/75/51/01/564755101.db2.gz IJSFUNPRZZTVKK-ZDUSSCGKSA-N 1 1 398.301 2.544 20 30 GFEDMO C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467239644 564959399 /nfs/dbraw/zinc/95/93/99/564959399.db2.gz AAHMZZYMTLQDIP-UHFFFAOYSA-N 1 1 382.302 2.874 20 30 GFEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000584701570 565092219 /nfs/dbraw/zinc/09/22/19/565092219.db2.gz ZPVNRTVLFFGDNE-MRXNPFEDSA-N 1 1 381.929 2.758 20 30 GFEDMO C[N@H+](CCC(=O)Nc1sccc1C#N)CCn1cc(Br)cn1 ZINC000588986491 565146287 /nfs/dbraw/zinc/14/62/87/565146287.db2.gz NWSXWTIDHFLNAJ-UHFFFAOYSA-N 1 1 382.287 2.539 20 30 GFEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000592185335 565262258 /nfs/dbraw/zinc/26/22/58/565262258.db2.gz OXMHWHJMSNDECQ-AWEZNQCLSA-N 1 1 390.203 2.821 20 30 GFEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000592185335 565262261 /nfs/dbraw/zinc/26/22/61/565262261.db2.gz OXMHWHJMSNDECQ-AWEZNQCLSA-N 1 1 390.203 2.821 20 30 GFEDMO CCC[N@@H+](C)CC(C)(C)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000598466706 565619688 /nfs/dbraw/zinc/61/96/88/565619688.db2.gz XMNVKXPZSXOZKD-UHFFFAOYSA-N 1 1 382.302 2.936 20 30 GFEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671106792 565752212 /nfs/dbraw/zinc/75/22/12/565752212.db2.gz JIOHUXPZDLSYTO-KGLIPLIRSA-N 1 1 381.929 2.659 20 30 GFEDMO C[NH+](C)C[C@@H](NS(=O)(=O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000601480521 565785740 /nfs/dbraw/zinc/78/57/40/565785740.db2.gz CWCLOXFWDJJDPA-CQSZACIVSA-N 1 1 375.416 2.531 20 30 GFEDMO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000611682167 566139696 /nfs/dbraw/zinc/13/96/96/566139696.db2.gz CLIDHTBIKFMQIR-ZDUSSCGKSA-N 1 1 380.267 2.644 20 30 GFEDMO CCOCCC[N@@H+]1CCC(N=Nc2oc(C(C)C)nc2-c2nn[nH]n2)[C@H](C)C1 ZINC000736613982 599220501 /nfs/dbraw/zinc/22/05/01/599220501.db2.gz CNFDRCNROFQDBA-CYBMUJFWSA-N 1 1 390.492 2.514 20 30 GFEDMO CCOCCC[N@H+]1CCC(N=Nc2oc(C(C)C)nc2-c2nn[nH]n2)[C@H](C)C1 ZINC000736613982 599220503 /nfs/dbraw/zinc/22/05/03/599220503.db2.gz CNFDRCNROFQDBA-CYBMUJFWSA-N 1 1 390.492 2.514 20 30 GFEDMO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)ccc1OC ZINC000820841788 607480045 /nfs/dbraw/zinc/48/00/45/607480045.db2.gz DOPBBVWOKQFEAI-INIZCTEOSA-N 1 1 396.426 2.985 20 30 GFEDMO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000819743577 606838909 /nfs/dbraw/zinc/83/89/09/606838909.db2.gz MMCGWRJXXFELBP-GOSISDBHSA-N 1 1 397.527 2.542 20 30 GFEDMO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824045641 608465497 /nfs/dbraw/zinc/46/54/97/608465497.db2.gz NSOWXHRCIWLBLO-OAHLLOKOSA-N 1 1 399.458 2.855 20 30 GFEDMO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824045641 608465501 /nfs/dbraw/zinc/46/55/01/608465501.db2.gz NSOWXHRCIWLBLO-OAHLLOKOSA-N 1 1 399.458 2.855 20 30 GFEDMO N#Cc1cccc(C2([NH2+]CC(=O)Nc3cc(Cl)ccc3-c3nn[nH]n3)CC2)c1 ZINC000826386822 608531725 /nfs/dbraw/zinc/53/17/25/608531725.db2.gz UHIWSMWSYKUPKN-UHFFFAOYSA-N 1 1 393.838 2.609 20 30 GFEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1N=Nc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824995296 608537143 /nfs/dbraw/zinc/53/71/43/608537143.db2.gz YJDHHGMXSPGTIS-GFCCVEGCSA-N 1 1 397.874 2.620 20 30 GFEDMO COCC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826158892 608566971 /nfs/dbraw/zinc/56/69/71/608566971.db2.gz HKEPVCQYKWJVHH-MRXNPFEDSA-N 1 1 392.463 2.806 20 30 GFEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccccc1 ZINC000823878251 609370574 /nfs/dbraw/zinc/37/05/74/609370574.db2.gz UFHXHKMJEOMAAI-UHFFFAOYSA-N 1 1 393.495 2.780 20 30 GFEDMO C=C(C)C[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccccc1 ZINC000823878251 609370578 /nfs/dbraw/zinc/37/05/78/609370578.db2.gz UFHXHKMJEOMAAI-UHFFFAOYSA-N 1 1 393.495 2.780 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)Cn1c(C)c(Br)c2ccccc21 ZINC000818595582 660229450 /nfs/dbraw/zinc/22/94/50/660229450.db2.gz BPZMGATXANGCBL-UHFFFAOYSA-N 1 1 376.298 2.784 20 30 GFEDMO Cc1[nH+]ccn1C[C@H](C)OC(=O)COc1ccc(C#N)c(Br)c1 ZINC000835212695 660845060 /nfs/dbraw/zinc/84/50/60/660845060.db2.gz NQUSSDAPQZAJBL-NSHDSACASA-N 1 1 378.226 2.836 20 30 GFEDMO C#C[C@H](NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(Br)cc1 ZINC000836359325 660901575 /nfs/dbraw/zinc/90/15/75/660901575.db2.gz WJFPZENWOTWDRY-OAUYIBNBSA-N 1 1 376.298 2.905 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCc2c(F)ccc(Br)c2C1 ZINC000836491501 660910513 /nfs/dbraw/zinc/91/05/13/660910513.db2.gz UZKZAHNQJWKZRM-UHFFFAOYSA-N 1 1 382.277 2.611 20 30 GFEDMO CC(C)C(N)=[NH+]O[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000128546121 654848174 /nfs/dbraw/zinc/84/81/74/654848174.db2.gz XPWUUMDOWZUJEU-SECBINFHSA-N 1 1 375.210 2.563 20 30 GFEDMO C[N@H+](CCOc1ccc(C#N)cc1)CC(=O)Nc1ccc(Br)cn1 ZINC000068451389 654962593 /nfs/dbraw/zinc/96/25/93/654962593.db2.gz OOLONSXTJGINAX-UHFFFAOYSA-N 1 1 389.253 2.665 20 30 GFEDMO C[N@@H+](CCOc1ccc(C#N)cc1)CC(=O)Nc1ccc(Br)cn1 ZINC000068451389 654962595 /nfs/dbraw/zinc/96/25/95/654962595.db2.gz OOLONSXTJGINAX-UHFFFAOYSA-N 1 1 389.253 2.665 20 30 GFEDMO C=C(Br)CNC(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000069243977 654978076 /nfs/dbraw/zinc/97/80/76/654978076.db2.gz TUKBUHCPAQRPBR-UHFFFAOYSA-N 1 1 395.345 2.532 20 30 GFEDMO N#Cc1cccnc1N1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000103465605 655072736 /nfs/dbraw/zinc/07/27/36/655072736.db2.gz LRVLNFGVCJHPDL-KRWDZBQOSA-N 1 1 387.281 2.571 20 30 GFEDMO 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381.929 2.517 20 30 GFEDMO CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC1 ZINC000330646718 563515304 /nfs/dbraw/zinc/51/53/04/563515304.db2.gz IWGNCHVGJIIFKC-GFCCVEGCSA-N 1 1 376.284 2.936 20 30 GFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C#N)s1 ZINC000398049205 563532754 /nfs/dbraw/zinc/53/27/54/563532754.db2.gz VMAWWTCQLKBZRR-YOEHRIQHSA-N 1 1 375.519 2.809 20 30 GFEDMO CC(C)Oc1ccc(Br)cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000331227028 563541554 /nfs/dbraw/zinc/54/15/54/563541554.db2.gz YJMYNQCKJHSGFQ-CQSZACIVSA-N 1 1 399.333 2.808 20 30 GFEDMO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)cc1Br ZINC000332468780 563600215 /nfs/dbraw/zinc/60/02/15/563600215.db2.gz RVGLKXRADMWHDX-UHFFFAOYSA-N 1 1 398.326 2.570 20 30 GFEDMO C=CCN(C)C(=O)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000288082061 563628345 /nfs/dbraw/zinc/62/83/45/563628345.db2.gz GVXFUMBOPDODQD-UHFFFAOYSA-N 1 1 384.307 2.718 20 30 GFEDMO [NH3+]CC(F)(F)CNC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000415547631 563783722 /nfs/dbraw/zinc/78/37/22/563783722.db2.gz ZMLYEIYYEQIDRY-SECBINFHSA-N 1 1 377.260 2.785 20 30 GFEDMO C[N@@H+](CCCCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C1CC1 ZINC000416507013 563840931 /nfs/dbraw/zinc/84/09/31/563840931.db2.gz LRTCQLSEQDWUAW-UHFFFAOYSA-N 1 1 375.416 2.730 20 30 GFEDMO N#Cc1ccc(CN2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000367940235 563860167 /nfs/dbraw/zinc/86/01/67/563860167.db2.gz DDYMSUJUERPROH-DLBZAZTESA-N 1 1 378.314 2.742 20 30 GFEDMO N#Cc1ccc(CN2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000367940237 563860279 /nfs/dbraw/zinc/86/02/79/563860279.db2.gz DDYMSUJUERPROH-IRXDYDNUSA-N 1 1 378.314 2.742 20 30 GFEDMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccsc1 ZINC000447242854 563877829 /nfs/dbraw/zinc/87/78/29/563877829.db2.gz FBGIGQLARDWUSU-HNNXBMFYSA-N 1 1 376.869 2.631 20 30 GFEDMO COC(=O)C[C@H]1CSCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000471205454 564189010 /nfs/dbraw/zinc/18/90/10/564189010.db2.gz XYHSIIMTFSFHDW-AWEZNQCLSA-N 1 1 381.885 2.521 20 30 GFEDMO CSc1ccc([C@@H](CNS(=O)(=O)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000563497630 564193484 /nfs/dbraw/zinc/19/34/84/564193484.db2.gz GREYKDKRNRCSSR-GOSISDBHSA-N 1 1 375.519 2.861 20 30 GFEDMO C=CCOc1c(Br)cc(CN2CC[N@@H+](CCO)C[C@@H]2C)cc1OC ZINC000449785221 564202280 /nfs/dbraw/zinc/20/22/80/564202280.db2.gz DZICYCQDKMDDMU-AWEZNQCLSA-N 1 1 399.329 2.521 20 30 GFEDMO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)CC[N@H+]1C ZINC000449926615 564209468 /nfs/dbraw/zinc/20/94/68/564209468.db2.gz MNXXCNQWGOVSLW-OCCSQVGLSA-N 1 1 380.286 2.641 20 30 GFEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)COc2cccc(Br)c2C#N)[C@@H](C)C1 ZINC000449988523 564212903 /nfs/dbraw/zinc/21/29/03/564212903.db2.gz SKPYUUHDCIZWHV-XJKSGUPXSA-N 1 1 394.313 2.888 20 30 GFEDMO CC(C)[N@@H+]1C[C@H](NC(=O)COc2cccc(Br)c2C#N)[C@@H](C)C1 ZINC000450098366 564216436 /nfs/dbraw/zinc/21/64/36/564216436.db2.gz VDTGHHFXXUVWIS-WFASDCNBSA-N 1 1 380.286 2.544 20 30 GFEDMO CCC[N@@H+](C)[C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)c1ccc(Cl)cc1 ZINC000509619231 564305675 /nfs/dbraw/zinc/30/56/75/564305675.db2.gz QBBPYBRJEOJCQL-WMLDXEAASA-N 1 1 386.949 2.791 20 30 GFEDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000569395807 564462065 /nfs/dbraw/zinc/46/20/65/564462065.db2.gz LIUVRUHOVVKRON-GFCCVEGCSA-N 1 1 377.432 2.976 20 30 GFEDMO C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000453884816 564478779 /nfs/dbraw/zinc/47/87/79/564478779.db2.gz YDZPKUSHTJFSBM-UHFFFAOYSA-N 1 1 382.302 2.778 20 30 GFEDMO C[N@@H+]1CCO[C@@H](CSCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000571283352 564544740 /nfs/dbraw/zinc/54/47/40/564544740.db2.gz KRUWNDBAUJETRE-CYBMUJFWSA-N 1 1 379.551 2.891 20 30 GFEDMO C[N@H+]1CCO[C@@H](CSCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000571283352 564544746 /nfs/dbraw/zinc/54/47/46/564544746.db2.gz KRUWNDBAUJETRE-CYBMUJFWSA-N 1 1 379.551 2.891 20 30 GFEDMO C=CCOc1ccc(Br)cc1NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000458046023 564685186 /nfs/dbraw/zinc/68/51/86/564685186.db2.gz XRTPQHVPHWHVDT-CYBMUJFWSA-N 1 1 382.302 2.588 20 30 GFEDMO C[N@H+](CCn1cc(Br)cn1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000558184969 564895462 /nfs/dbraw/zinc/89/54/62/564895462.db2.gz WHYMGALKLCDANP-UHFFFAOYSA-N 1 1 396.676 2.741 20 30 GFEDMO C[N@@H+](CCn1cc(Br)cn1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000558184969 564895466 /nfs/dbraw/zinc/89/54/66/564895466.db2.gz WHYMGALKLCDANP-UHFFFAOYSA-N 1 1 396.676 2.741 20 30 GFEDMO Cc1onc(CC(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)c1C#N ZINC000469492715 565018759 /nfs/dbraw/zinc/01/87/59/565018759.db2.gz WQPSXOOHDZBNRD-UHFFFAOYSA-N 1 1 377.242 2.860 20 30 GFEDMO N#Cc1csc(C[NH2+]CCOc2ccc(I)cc2)n1 ZINC000589319783 565161920 /nfs/dbraw/zinc/16/19/20/565161920.db2.gz JTTNIRVMXQAMNK-UHFFFAOYSA-N 1 1 385.230 2.788 20 30 GFEDMO Cc1cc(N2CCC[C@@H]([N@@H+]3CC[C@@](O)(CC#N)C3)C2=O)ccc1Br ZINC000592150665 565260951 /nfs/dbraw/zinc/26/09/51/565260951.db2.gz GCRNQGORPXCWHY-AEFFLSMTSA-N 1 1 392.297 2.603 20 30 GFEDMO Cc1cc(N2CCC[C@@H]([N@H+]3CC[C@@](O)(CC#N)C3)C2=O)ccc1Br ZINC000592150665 565260955 /nfs/dbraw/zinc/26/09/55/565260955.db2.gz GCRNQGORPXCWHY-AEFFLSMTSA-N 1 1 392.297 2.603 20 30 GFEDMO C[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594104219 565376542 /nfs/dbraw/zinc/37/65/42/565376542.db2.gz YQFQEMNCWULNJJ-RWMBFGLXSA-N 1 1 395.301 2.940 20 30 GFEDMO C[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594104219 565376547 /nfs/dbraw/zinc/37/65/47/565376547.db2.gz YQFQEMNCWULNJJ-RWMBFGLXSA-N 1 1 395.301 2.940 20 30 GFEDMO N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000594483740 565394373 /nfs/dbraw/zinc/39/43/73/565394373.db2.gz OSOUYMXFAJRXNM-HOTGVXAUSA-N 1 1 398.326 2.616 20 30 GFEDMO C[N@H+]1CCCC[C@H](CNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000600314193 565723816 /nfs/dbraw/zinc/72/38/16/565723816.db2.gz NBGBZZHKCNCEFW-CYBMUJFWSA-N 1 1 380.286 2.548 20 30 GFEDMO CC(N=Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735450806 599284985 /nfs/dbraw/zinc/28/49/85/599284985.db2.gz DPOVHETUWVDQME-IBGZPJMESA-N 1 1 377.452 2.556 20 30 GFEDMO CC(N=Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735450806 599284988 /nfs/dbraw/zinc/28/49/88/599284988.db2.gz DPOVHETUWVDQME-IBGZPJMESA-N 1 1 377.452 2.556 20 30 GFEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)cc1 ZINC000822825362 606963230 /nfs/dbraw/zinc/96/32/30/606963230.db2.gz CBLPXKBNZRVMDJ-UHFFFAOYSA-N 1 1 391.454 2.585 20 30 GFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(Br)nn1-c1ccc(C)cc1 ZINC000818611754 660230004 /nfs/dbraw/zinc/23/00/04/660230004.db2.gz BBXNVLYQZMHJGZ-UHFFFAOYSA-N 1 1 389.297 2.628 20 30 GFEDMO CC(C)c1[nH+]ccn1CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000825600675 660434761 /nfs/dbraw/zinc/43/47/61/660434761.db2.gz OPYKHZFEFNKJHI-UHFFFAOYSA-N 1 1 391.269 2.836 20 30 GFEDMO C[NH+]1CCN(C2CCN(C(=O)c3c(Cl)cc(C#N)cc3Cl)CC2)CC1 ZINC000827450866 660496551 /nfs/dbraw/zinc/49/65/51/660496551.db2.gz ZGAIOFWUVZAFCA-UHFFFAOYSA-N 1 1 381.307 2.717 20 30 GFEDMO C#CCOc1ccc(Br)cc1C[NH2+]CCCCN1CCOCC1 ZINC000060979516 654834839 /nfs/dbraw/zinc/83/48/39/654834839.db2.gz CXXBICKPIPEDJT-UHFFFAOYSA-N 1 1 381.314 2.663 20 30 GFEDMO CC(C)C(N)=[NH+]O[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000128632986 654849365 /nfs/dbraw/zinc/84/93/65/654849365.db2.gz TYGZQTSGMDVYBQ-SECBINFHSA-N 1 1 375.210 2.563 20 30 GFEDMO C#CCNC(=O)C1CC[NH+](Cc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000838802078 661057584 /nfs/dbraw/zinc/05/75/84/661057584.db2.gz KWTRLXFCABXOMR-UHFFFAOYSA-N 1 1 395.297 2.515 20 30 GFEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000839635332 661097438 /nfs/dbraw/zinc/09/74/38/661097438.db2.gz HHXYAMSDBZHYBC-MZMPZRCHSA-N 1 1 396.329 2.857 20 30 GFEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000839635332 661097440 /nfs/dbraw/zinc/09/74/40/661097440.db2.gz HHXYAMSDBZHYBC-MZMPZRCHSA-N 1 1 396.329 2.857 20 30 GFEDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000578178295 655473574 /nfs/dbraw/zinc/47/35/74/655473574.db2.gz LQUSSRFKISYIIV-GFCCVEGCSA-N 1 1 377.432 2.976 20 30 GFEDMO CC(C)[N@H+]1CC[C@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000579194791 655495831 /nfs/dbraw/zinc/49/58/31/655495831.db2.gz YJZIUDJSDQOMJV-CYBMUJFWSA-N 1 1 380.286 2.546 20 30 GFEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC000751467260 655828632 /nfs/dbraw/zinc/82/86/32/655828632.db2.gz GFOQQZGEIMPEMA-INIZCTEOSA-N 1 1 381.860 2.932 20 30 GFEDMO CC(C[C@H]1COCCN1C(=O)OC(C)(C)C)=[NH+]n1cc(Br)cn1 ZINC000767386918 656201216 /nfs/dbraw/zinc/20/12/16/656201216.db2.gz GMEJWPJNDHZVOW-ZDUSSCGKSA-N 1 1 387.278 2.896 20 30 GFEDMO Cc1nc2ccc(Br)cc2c(=O)n1N=C1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000844604171 661429708 /nfs/dbraw/zinc/42/97/08/661429708.db2.gz OHIBNLBVNPLDOO-JTQLQIEISA-N 1 1 375.270 2.928 20 30 GFEDMO Cc1nc2ccc(Br)cc2c(=O)n1N=C1C[C@H](C)[N@H+](C2CC2)C1 ZINC000844604171 661429712 /nfs/dbraw/zinc/42/97/12/661429712.db2.gz OHIBNLBVNPLDOO-JTQLQIEISA-N 1 1 375.270 2.928 20 30 GFEDMO C#CC[N@H+](CC[C@H]1CCNC1=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000846804088 661566392 /nfs/dbraw/zinc/56/63/92/661566392.db2.gz IGPLIBAPFIEMQA-CJNGLKHVSA-N 1 1 377.282 2.734 20 30 GFEDMO COc1cc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)c(Br)cn1 ZINC000857243498 662069372 /nfs/dbraw/zinc/06/93/72/662069372.db2.gz LZYKXQYHGUDMBY-UHFFFAOYSA-N 1 1 378.226 2.625 20 30 GFEDMO C=CC[C@@H](C(=O)OC)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000878214472 662891816 /nfs/dbraw/zinc/89/18/16/662891816.db2.gz UQRAMTWIHCUKOE-AWEZNQCLSA-N 1 1 396.285 2.612 20 30 GFEDMO N#Cc1cnc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(Br)c1 ZINC000882598337 663033058 /nfs/dbraw/zinc/03/30/58/663033058.db2.gz FUWNZHHSQXTDGF-MRXNPFEDSA-N 1 1 387.281 2.894 20 30 GFEDMO C[N@@H+]1CC[C@@H](NC(=O)NCc2nc(C#N)cs2)[C@@H]1c1ccc(Cl)cc1 ZINC000893893667 663430487 /nfs/dbraw/zinc/43/04/87/663430487.db2.gz COMIGBJCKWJROB-ZBFHGGJFSA-N 1 1 375.885 2.913 20 30 GFEDMO C[N@H+]1CC[C@@H](NC(=O)NCc2nc(C#N)cs2)[C@@H]1c1ccc(Cl)cc1 ZINC000893893667 663430490 /nfs/dbraw/zinc/43/04/90/663430490.db2.gz COMIGBJCKWJROB-ZBFHGGJFSA-N 1 1 375.885 2.913 20 30 GFEDMO C#CC[C@H](COC)[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000922299175 664593942 /nfs/dbraw/zinc/59/39/42/664593942.db2.gz NGKAJYMPMCUGRC-SECBINFHSA-N 1 1 379.096 2.556 20 30 GFEDMO