smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cc2c1Cl ZINC001164409880 718866115 /nfs/dbraw/zinc/86/61/15/718866115.db2.gz VCVMPPMIEZAQAN-BDJLRTHQSA-N 1 0 427.282 3.773 20 30 IHEDRO N#CC1(c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc2)CCOCC1 ZINC001164696945 719896861 /nfs/dbraw/zinc/89/68/61/719896861.db2.gz IOHBZTBSAGZIDK-UHFFFAOYSA-N 1 0 438.597 3.586 20 30 IHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164734112 720551460 /nfs/dbraw/zinc/55/14/60/720551460.db2.gz UWZMWQMCMDGREX-UHFFFAOYSA-N 1 0 441.313 3.660 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(C#N)ccc3NC(=O)C(C)(C)C)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842259 720576897 /nfs/dbraw/zinc/57/68/97/720576897.db2.gz VDUQZRHNOJGUKX-KAGYGMCKSA-N 1 0 449.603 3.512 20 30 IHEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745173 720848447 /nfs/dbraw/zinc/84/84/47/720848447.db2.gz MFTOHQNQDKBRFN-TUNNFDKTSA-N 1 0 445.596 3.653 20 30 IHEDRO N#Cc1cc(Cl)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757499 720884847 /nfs/dbraw/zinc/88/48/47/720884847.db2.gz VITAQDKUXGGUQL-GBXCKJPGSA-N 1 0 437.975 3.757 20 30 IHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)[C@@H]2C ZINC001164861946 720976587 /nfs/dbraw/zinc/97/65/87/720976587.db2.gz RNGOBAZRYONMEC-XLIONFOSSA-N 1 0 433.535 3.889 20 30 IHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869572 721191098 /nfs/dbraw/zinc/19/10/98/721191098.db2.gz QOKCLEZUZWGPAR-ROUUACIJSA-N 1 0 437.906 3.774 20 30 IHEDRO Cc1ccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c(C#N)c(Cl)c2c1 ZINC001164869669 721198241 /nfs/dbraw/zinc/19/82/41/721198241.db2.gz RMDSYSCBGCPYCC-OALUTQOASA-N 1 0 433.943 3.943 20 30 IHEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985587 722138240 /nfs/dbraw/zinc/13/82/40/722138240.db2.gz ZZSLXQXRWFMNRW-XMSQKQJNSA-N 1 0 433.943 3.882 20 30 IHEDRO C[NH+](C)CCN1C(=O)c2cccc3cc(NC(=S)Nc4ccc(C#N)cc4)cc(c32)C1=O ZINC000028712281 563062860 /nfs/dbraw/zinc/06/28/60/563062860.db2.gz KMALXUYWHYBVMU-UHFFFAOYSA-N 1 0 443.532 3.678 20 30 IHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3)nc(SC)c1C#N)C2 ZINC001164812477 720135571 /nfs/dbraw/zinc/13/55/71/720135571.db2.gz ONTJQFCLAJTTRD-CJFMBICVSA-N 1 0 449.624 3.922 20 30 IHEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(CC#N)cc1Cl)CC2 ZINC001164714642 720149995 /nfs/dbraw/zinc/14/99/95/720149995.db2.gz XURQQSJTVXVSOD-HXUWFJFHSA-N 1 0 425.964 3.704 20 30 IHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC001164823549 720350243 /nfs/dbraw/zinc/35/02/43/720350243.db2.gz GZTCZWVKNZCEGY-FGZHOGPDSA-N 1 0 437.975 3.671 20 30 IHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC001164823553 720350486 /nfs/dbraw/zinc/35/04/86/720350486.db2.gz GZTCZWVKNZCEGY-YADHBBJMSA-N 1 0 437.975 3.671 20 30 IHEDRO CCCc1cc(C#N)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl ZINC001164748957 720834346 /nfs/dbraw/zinc/83/43/46/720834346.db2.gz VFFSIDYDDXLUNE-NJDAHSKKSA-N 1 0 439.995 3.530 20 30 IHEDRO N#Cc1c[nH]c2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc12 ZINC001164753825 720894388 /nfs/dbraw/zinc/89/43/88/720894388.db2.gz HFANRBLYWKCMMQ-ATIYNZHBSA-N 1 0 442.567 3.585 20 30 IHEDRO Cc1ccc(CC#N)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754622 720916132 /nfs/dbraw/zinc/91/61/32/720916132.db2.gz WKBSVRHLOWHBCE-AOYPEHQESA-N 1 0 431.584 3.606 20 30 IHEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccc(F)cc5)ccc4C#N)C3)O2)CC1 ZINC001164888633 721386342 /nfs/dbraw/zinc/38/63/42/721386342.db2.gz KPDSZWUWLJZQDQ-OZXSUGGESA-N 1 0 449.574 3.525 20 30 IHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)c(C#N)cc1Cl)CC2 ZINC001164790664 721473532 /nfs/dbraw/zinc/47/35/32/721473532.db2.gz UFAOYGUZPHILHN-HXUWFJFHSA-N 1 0 432.996 3.649 20 30 IHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(SC)nc(Cl)c2C#N)CC1 ZINC001165016878 721837675 /nfs/dbraw/zinc/83/76/75/721837675.db2.gz GMNPNRXLSCUKNQ-UHFFFAOYSA-N 1 0 447.992 3.842 20 30 IHEDRO Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164985461 722134267 /nfs/dbraw/zinc/13/42/67/722134267.db2.gz ZOOJZLYITSAJPC-ZEQRLZLVSA-N 1 0 434.660 3.741 20 30 IHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3ccccc3c(Cl)c2C#N)CC1 ZINC001164832009 720336302 /nfs/dbraw/zinc/33/63/02/720336302.db2.gz SSUGPTSDSPHVOJ-RTWAWAEBSA-N 1 0 437.975 3.671 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C#N)CC[C@@H]21 ZINC001164843144 720577184 /nfs/dbraw/zinc/57/71/84/720577184.db2.gz WXWSSGUJJCWACX-AOIWGVFYSA-N 1 0 434.922 3.726 20 30 IHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc(C)c1C#N)CC2 ZINC001164789461 721451527 /nfs/dbraw/zinc/45/15/27/721451527.db2.gz WNNBQAKKBWRWOB-IBGZPJMESA-N 1 0 432.996 3.649 20 30 IHEDRO Cc1ccc2nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c(C#N)c(Cl)c2c1 ZINC001165013065 721750318 /nfs/dbraw/zinc/75/03/18/721750318.db2.gz SNPXCYHCLUCMGU-UHFFFAOYSA-N 1 0 425.964 3.591 20 30 IHEDRO CSc1nc(Cl)c(C=NO)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026306 721806469 /nfs/dbraw/zinc/80/64/69/721806469.db2.gz QLWGSWXANMYKHW-WBAXXEDZSA-N 1 0 447.008 3.792 20 30 IHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164951678 722015077 /nfs/dbraw/zinc/01/50/77/722015077.db2.gz CBIRUXUJEGORCB-UHFFFAOYSA-N 1 0 439.947 3.671 20 30 IHEDRO N#Cc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(Cl)cc1Cl ZINC001164963293 722061430 /nfs/dbraw/zinc/06/14/30/722061430.db2.gz VRJWHNOKMHEIPL-UHFFFAOYSA-N 1 0 432.355 3.774 20 30 IHEDRO N#Cc1cccc(N2CCOC[C@]3(CCCN(c4ccc(C[NH+]5CCCC5)cn4)C3)C2)c1 ZINC001165005039 722259054 /nfs/dbraw/zinc/25/90/54/722259054.db2.gz UEIGNQIAFOTWFI-AREMUKBSSA-N 1 0 431.584 3.672 20 30 IHEDRO N#Cc1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c(OC(F)F)c1 ZINC001473641483 1126198360 /nfs/dbraw/zinc/19/83/60/1126198360.db2.gz PGJAGPNQSJMFJT-HXUWFJFHSA-N 1 0 437.284 3.932 20 30 IHEDRO CCOC(=O)c1cc(C)nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1C#N ZINC001164693115 719806677 /nfs/dbraw/zinc/80/66/77/719806677.db2.gz QKNYANOWJATIEU-UHFFFAOYSA-N 1 0 439.585 3.838 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)ncc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834156 720551053 /nfs/dbraw/zinc/55/10/53/720551053.db2.gz CKSNSXVFMRESIY-HHXXYDBFSA-N 1 0 434.922 3.726 20 30 IHEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)CC[C@H]2C1 ZINC001164860729 720893766 /nfs/dbraw/zinc/89/37/66/720893766.db2.gz UQFRVBWQBCLZOD-KBXCAEBGSA-N 1 0 435.355 3.587 20 30 IHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3c(cc1C#N)CCCC3)CC2 ZINC001164791793 721465933 /nfs/dbraw/zinc/46/59/33/721465933.db2.gz ZIPKGWLWKCRKFD-HSZRJFAPSA-N 1 0 438.616 3.566 20 30 IHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(C3(C#N)CCOCC3)cn1)CC2 ZINC001164796815 721499372 /nfs/dbraw/zinc/49/93/72/721499372.db2.gz ZBKRQJYJDALNRK-UHFFFAOYSA-N 1 0 431.584 3.929 20 30 IHEDRO N#Cc1cc(C#N)c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164908445 721702307 /nfs/dbraw/zinc/70/23/07/721702307.db2.gz ZGQGYSBMYHMOMN-FQEVSTJZSA-N 1 0 428.874 3.611 20 30 IHEDRO CSc1nc(Cl)c(C=NO)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165026304 721806590 /nfs/dbraw/zinc/80/65/90/721806590.db2.gz QLWGSWXANMYKHW-QGTPRVQTSA-N 1 0 447.008 3.792 20 30 IHEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959444 722053351 /nfs/dbraw/zinc/05/33/51/722053351.db2.gz JHJDRGKCYMVXNO-UHFFFAOYSA-N 1 0 448.958 3.669 20 30 IHEDRO N#Cc1cc(Cl)c(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962273 722056162 /nfs/dbraw/zinc/05/61/62/722056162.db2.gz CFDUGNCRFXPAIP-UHFFFAOYSA-N 1 0 432.355 3.774 20 30 IHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962300 722058218 /nfs/dbraw/zinc/05/82/18/722058218.db2.gz QOYHEQMCSSPIML-UHFFFAOYSA-N 1 0 447.917 3.666 20 30 IHEDRO CN(CCC#N)c1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC001461630135 1126195471 /nfs/dbraw/zinc/19/54/71/1126195471.db2.gz HWZSTSCCJFYLKE-JOCHJYFZSA-N 1 0 428.374 3.809 20 30 IHEDRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001164663135 719359219 /nfs/dbraw/zinc/35/92/19/719359219.db2.gz CJKSIJSKKWDLEF-QHCPKHFHSA-N 1 0 425.964 3.856 20 30 IHEDRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)c2c1CC[NH2+]C2 ZINC001164682575 719605660 /nfs/dbraw/zinc/60/56/60/719605660.db2.gz DYRPEIBBBGMJQZ-UHFFFAOYSA-N 1 0 429.302 3.540 20 30 IHEDRO Cc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1CC#N ZINC001164684382 719678560 /nfs/dbraw/zinc/67/85/60/719678560.db2.gz TYFLEIUNRUFVOD-QFIPXVFZSA-N 1 0 445.611 3.550 20 30 IHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)nc(SC)c1C#N)C2 ZINC001164812480 720135391 /nfs/dbraw/zinc/13/53/91/720135391.db2.gz ONTJQFCLAJTTRD-NLFFAJNJSA-N 1 0 449.624 3.922 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc(C#N)c(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841246 720511105 /nfs/dbraw/zinc/51/11/05/720511105.db2.gz XYNKNAXQUYRBSG-OKZBNKHCSA-N 1 0 434.922 3.726 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836254 720640131 /nfs/dbraw/zinc/64/01/31/720640131.db2.gz FOAVWDSIOSMKOI-GREBRCKQSA-N 1 0 445.527 3.589 20 30 IHEDRO N#Cc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164750854 720867415 /nfs/dbraw/zinc/86/74/15/720867415.db2.gz KBTBCGCQPZYJQD-QPPBQGQZSA-N 1 0 437.975 3.757 20 30 IHEDRO Cc1ccc(CC#N)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754621 720915730 /nfs/dbraw/zinc/91/57/30/720915730.db2.gz WKBSVRHLOWHBCE-AHWVRZQESA-N 1 0 431.584 3.606 20 30 IHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164868836 721197446 /nfs/dbraw/zinc/19/74/46/721197446.db2.gz OCZVNHRCRFCOHL-OALUTQOASA-N 1 0 433.943 3.943 20 30 IHEDRO CCOC(=O)c1cc(C)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N ZINC001165027563 721806954 /nfs/dbraw/zinc/80/69/54/721806954.db2.gz WHCFHWSIKKTLAA-OFAXGOBFSA-N 1 0 433.556 3.570 20 30 IHEDRO Cc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(C#N)c(C)c1Cl ZINC001164958929 722052151 /nfs/dbraw/zinc/05/21/51/722052151.db2.gz HSUDHGHYIJDJGN-UHFFFAOYSA-N 1 0 425.964 3.738 20 30 IHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958894 722053190 /nfs/dbraw/zinc/05/31/90/722053190.db2.gz HLWJOZULLSPRDU-UHFFFAOYSA-N 1 0 447.917 3.666 20 30 IHEDRO Cc1c(Cl)c(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164978415 722106246 /nfs/dbraw/zinc/10/62/46/722106246.db2.gz GUKLDUBOBRJJAL-WMZOPIPTSA-N 1 0 432.355 3.691 20 30 IHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc([C@@H](C#N)c3ccc(C)cc3)nn1)C2 ZINC001164812757 720076619 /nfs/dbraw/zinc/07/66/19/720076619.db2.gz RRVDLKBJNMLWMM-JCYRPKCISA-N 1 0 431.584 3.625 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)ccc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836726 720550691 /nfs/dbraw/zinc/55/06/91/720550691.db2.gz KSTIFUSACWFEDK-OKZBNKHCSA-N 1 0 434.922 3.726 20 30 IHEDRO CCCc1cc(C#N)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl ZINC001164748963 720834128 /nfs/dbraw/zinc/83/41/28/720834128.db2.gz VFFSIDYDDXLUNE-PWRODBHTSA-N 1 0 439.995 3.530 20 30 IHEDRO N#Cc1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751700 720900906 /nfs/dbraw/zinc/90/09/06/720900906.db2.gz DCJYIDVWJSPZND-QPPBQGQZSA-N 1 0 437.975 3.757 20 30 IHEDRO Cc1ccc(CC#N)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754624 720917150 /nfs/dbraw/zinc/91/71/50/720917150.db2.gz WKBSVRHLOWHBCE-RSXGOPAZSA-N 1 0 431.584 3.606 20 30 IHEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccc(F)cc5)ccc4C#N)C3)O2)CC1 ZINC001164888634 721386414 /nfs/dbraw/zinc/38/64/14/721386414.db2.gz KPDSZWUWLJZQDQ-ZEQKJWHPSA-N 1 0 449.574 3.525 20 30 IHEDRO C=CCOCc1nn(C)c2c1CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164785995 721447732 /nfs/dbraw/zinc/44/77/32/721447732.db2.gz LOSQBUKIERSAKI-UHFFFAOYSA-N 1 0 449.933 3.655 20 30 IHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3ccc(C#N)cc31)CC2 ZINC001164782678 721457702 /nfs/dbraw/zinc/45/77/02/721457702.db2.gz ATSWSUFQIQRUOT-HSZRJFAPSA-N 1 0 434.584 3.840 20 30 IHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C#N)c3ccccc3n1)CC2 ZINC001164787382 721465779 /nfs/dbraw/zinc/46/57/79/721465779.db2.gz FFWSIJDRDYUOPY-JOCHJYFZSA-N 1 0 434.584 3.840 20 30 IHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)cc1 ZINC001164896904 721514422 /nfs/dbraw/zinc/51/44/22/721514422.db2.gz CBDRFYJYRSJVQO-QTJGBDASSA-N 1 0 443.526 3.922 20 30 IHEDRO CSc1nc(Cl)c(C#N)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165017796 721798580 /nfs/dbraw/zinc/79/85/80/721798580.db2.gz ARFQIXWLULLEAI-JCGIZDLHSA-N 1 0 428.993 3.855 20 30 IHEDRO CSc1nc(Cl)c(C=NO)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026302 721806464 /nfs/dbraw/zinc/80/64/64/721806464.db2.gz QLWGSWXANMYKHW-JCGIZDLHSA-N 1 0 447.008 3.792 20 30 IHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC001164823551 720349886 /nfs/dbraw/zinc/34/98/86/720349886.db2.gz GZTCZWVKNZCEGY-VXKWHMMOSA-N 1 0 437.975 3.671 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)nc(C#N)c3)CC[C@@H]21 ZINC001164833580 720540958 /nfs/dbraw/zinc/54/09/58/720540958.db2.gz ALORKMUOKUOFPI-MNEFBYGVSA-N 1 0 434.922 3.726 20 30 IHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164744293 720593862 /nfs/dbraw/zinc/59/38/62/720593862.db2.gz RHYZQZRLBXUYMY-UHFFFAOYSA-N 1 0 449.946 3.649 20 30 IHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164741737 720597349 /nfs/dbraw/zinc/59/73/49/720597349.db2.gz MEFWQTIZXTVJLS-UHFFFAOYSA-N 1 0 442.901 3.893 20 30 IHEDRO N#Cc1cc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2[nH]1 ZINC001164746526 720906847 /nfs/dbraw/zinc/90/68/47/720906847.db2.gz BICHDGCNDCRGDG-RLWLMLJZSA-N 1 0 442.567 3.585 20 30 IHEDRO N#Cc1cc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2[nH]1 ZINC001164746524 720907212 /nfs/dbraw/zinc/90/72/12/720907212.db2.gz BICHDGCNDCRGDG-LVXARBLLSA-N 1 0 442.567 3.585 20 30 IHEDRO N#Cc1cc2c(nc1N1CC[C@@]3(C1)C[N@H+](CC1CC1)C[C@@H]3COCc1cccnc1)CCC2 ZINC001164747158 720910860 /nfs/dbraw/zinc/91/08/60/720910860.db2.gz BXZZTAICJVMTFS-SQHAQQRYSA-N 1 0 443.595 3.592 20 30 IHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)[C@@H]2C ZINC001164861947 720977505 /nfs/dbraw/zinc/97/75/05/720977505.db2.gz RNGOBAZRYONMEC-YLJYHZDGSA-N 1 0 433.535 3.889 20 30 IHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164868838 721196639 /nfs/dbraw/zinc/19/66/39/721196639.db2.gz OCZVNHRCRFCOHL-RBUKOAKNSA-N 1 0 433.943 3.943 20 30 IHEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccc(F)cc5)ccc4C#N)C3)O2)CC1 ZINC001164888630 721386122 /nfs/dbraw/zinc/38/61/22/721386122.db2.gz KPDSZWUWLJZQDQ-BVAGGSTKSA-N 1 0 449.574 3.525 20 30 IHEDRO CCOC(=O)c1cc(C)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N ZINC001165027565 721806806 /nfs/dbraw/zinc/80/68/06/721806806.db2.gz WHCFHWSIKKTLAA-TZYHBYERSA-N 1 0 433.556 3.570 20 30 IHEDRO CC1(C)CCCc2cc(C#N)c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164975290 722156317 /nfs/dbraw/zinc/15/63/17/722156317.db2.gz RJTMPKWBVVRGNH-FYYLOGMGSA-N 1 0 431.584 3.689 20 30 IHEDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1 ZINC001164615342 719020017 /nfs/dbraw/zinc/02/00/17/719020017.db2.gz ILHCJTSCRGJXNY-ZYSHUDEJSA-N 1 0 446.885 3.548 20 30 IHEDRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc([C@H](C#N)c4ccc(C)cc4)nn3)CC2)CC1 ZINC001164614059 719021882 /nfs/dbraw/zinc/02/18/82/719021882.db2.gz MGMZRPKXDYOXKG-HSZRJFAPSA-N 1 0 447.583 3.684 20 30 IHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628394 719098483 /nfs/dbraw/zinc/09/84/83/719098483.db2.gz MOPGOHFOOQAZKV-VIZSFHNOSA-N 1 0 441.535 3.511 20 30 IHEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3c(cc1C#N)CCCC3)CC2 ZINC001164713841 720141874 /nfs/dbraw/zinc/14/18/74/720141874.db2.gz TVGQWSFKXIHRBG-HSZRJFAPSA-N 1 0 431.584 3.735 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)ncc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834160 720551351 /nfs/dbraw/zinc/55/13/51/720551351.db2.gz CKSNSXVFMRESIY-VDZJLULYSA-N 1 0 434.922 3.726 20 30 IHEDRO CC1(C)CCCc2cc(C#N)c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164744670 720859623 /nfs/dbraw/zinc/85/96/23/720859623.db2.gz CEPTZVFBBFAJEL-XPWALMASSA-N 1 0 445.615 3.538 20 30 IHEDRO Cc1ccc(CC#N)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754623 720917268 /nfs/dbraw/zinc/91/72/68/720917268.db2.gz WKBSVRHLOWHBCE-AZGAKELHSA-N 1 0 431.584 3.606 20 30 IHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C(C)C)ccc1C#N)CC2 ZINC001164788703 721452108 /nfs/dbraw/zinc/45/21/08/721452108.db2.gz STKYEOQOOKJWDY-JOCHJYFZSA-N 1 0 426.605 3.811 20 30 IHEDRO Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164985459 722134341 /nfs/dbraw/zinc/13/43/41/722134341.db2.gz ZOOJZLYITSAJPC-RPWUZVMVSA-N 1 0 434.660 3.741 20 30 IHEDRO Cc1ccc2nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c(C#N)c(Cl)c2c1 ZINC001165004634 722258097 /nfs/dbraw/zinc/25/80/97/722258097.db2.gz ULIBYKWGEBDRDU-UHFFFAOYSA-N 1 0 438.963 3.753 20 30 IHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4ncccc4C[NH+]4CCCC4)C3)C2)c1 ZINC001165005544 722258987 /nfs/dbraw/zinc/25/89/87/722258987.db2.gz XXBCTIJRQDZHAI-SANMLTNESA-N 1 0 431.584 3.672 20 30 IHEDRO N#Cc1c(Cl)nc(C(F)(F)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)nc1C(F)(F)F ZINC001164428382 718947286 /nfs/dbraw/zinc/94/72/86/718947286.db2.gz KXZQYOGBRRCYAS-QWHCGFSZSA-N 1 0 429.780 3.641 20 30 IHEDRO N#Cc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc2ccc([N+](=O)[O-])cc12 ZINC001164707912 719905820 /nfs/dbraw/zinc/90/58/20/719905820.db2.gz ZBQRILPVIKNMHE-UHFFFAOYSA-N 1 0 449.536 3.948 20 30 IHEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(F)cc1C#N)CC2 ZINC001164711540 720095614 /nfs/dbraw/zinc/09/56/14/720095614.db2.gz QRBTYOVOHARQLO-GOSISDBHSA-N 1 0 429.927 3.648 20 30 IHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)nc(SC)c1C#N)C2 ZINC001164812478 720135819 /nfs/dbraw/zinc/13/58/19/720135819.db2.gz ONTJQFCLAJTTRD-CPJSRVTESA-N 1 0 449.624 3.922 20 30 IHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)C2 ZINC001164813062 720172963 /nfs/dbraw/zinc/17/29/63/720172963.db2.gz CMACLGVJXHXUDK-RPLLCQBOSA-N 1 0 446.595 3.911 20 30 IHEDRO CCOC(=O)c1cc(C)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164842020 720677107 /nfs/dbraw/zinc/67/71/07/720677107.db2.gz KZVBKCFZSOUDNF-OAQYLSRUSA-N 1 0 448.567 3.698 20 30 IHEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745171 720848495 /nfs/dbraw/zinc/84/84/95/720848495.db2.gz MFTOHQNQDKBRFN-KCZVDYSFSA-N 1 0 445.596 3.653 20 30 IHEDRO N#Cc1cc(Cl)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757501 720885110 /nfs/dbraw/zinc/88/51/10/720885110.db2.gz VITAQDKUXGGUQL-RDPSFJRHSA-N 1 0 437.975 3.757 20 30 IHEDRO COCC[N@@H+]1CCO[C@H]2CN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)CC[C@@H]2C1 ZINC001164860753 720893686 /nfs/dbraw/zinc/89/36/86/720893686.db2.gz UQFRVBWQBCLZOD-KDOFPFPSSA-N 1 0 435.355 3.587 20 30 IHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c12 ZINC001164764807 721250288 /nfs/dbraw/zinc/25/02/88/721250288.db2.gz QFUMZCAAVJPFNC-SJORKVTESA-N 1 0 438.938 3.899 20 30 IHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3ccc(C#N)cc31)CC2 ZINC001164782681 721457766 /nfs/dbraw/zinc/45/77/66/721457766.db2.gz ATSWSUFQIQRUOT-QHCPKHFHSA-N 1 0 434.584 3.840 20 30 IHEDRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3cc(F)ccc3c(Cl)c1C#N)CCC2 ZINC001165004915 722258239 /nfs/dbraw/zinc/25/82/39/722258239.db2.gz XJLVPFGKOFUCGX-UHFFFAOYSA-N 1 0 442.926 3.584 20 30 IHEDRO Cc1ccc(CC#N)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164685694 719678540 /nfs/dbraw/zinc/67/85/40/719678540.db2.gz VTGADEQFEJALMW-JOCHJYFZSA-N 1 0 445.611 3.550 20 30 IHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)C2 ZINC001164806788 720074133 /nfs/dbraw/zinc/07/41/33/720074133.db2.gz DGQDJRPXUFKGTJ-LIRRHRJNSA-N 1 0 445.341 3.990 20 30 IHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(-c3ccc(F)cc3)ccc2C#N)CC1 ZINC001164820583 720295393 /nfs/dbraw/zinc/29/53/93/720295393.db2.gz HTDUQSSYVFHMQL-BJKOFHAPSA-N 1 0 447.558 3.671 20 30 IHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3ccccc3c(Cl)c2C#N)CC1 ZINC001164832008 720335902 /nfs/dbraw/zinc/33/59/02/720335902.db2.gz SSUGPTSDSPHVOJ-NHCUHLMSSA-N 1 0 437.975 3.671 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3c(C#N)cnc4cnc(Cl)cc43)CC[C@@H]21 ZINC001164837302 720517325 /nfs/dbraw/zinc/51/73/25/720517325.db2.gz PBKJLWOWVMCZSM-MDKPJZGXSA-N 1 0 435.963 3.729 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc(Cl)ccc3C#N)CC[C@@H]21 ZINC001164836729 720551258 /nfs/dbraw/zinc/55/12/58/720551258.db2.gz KSTIFUSACWFEDK-SQNIBIBYSA-N 1 0 434.922 3.726 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC[C@@H]21 ZINC001164836263 720640612 /nfs/dbraw/zinc/64/06/12/720640612.db2.gz FOAVWDSIOSMKOI-LEDOBFOHSA-N 1 0 445.527 3.589 20 30 IHEDRO Cc1cc(C#N)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C ZINC001164756325 720883945 /nfs/dbraw/zinc/88/39/45/720883945.db2.gz PUOGSBIZBOJHGM-RSXGOPAZSA-N 1 0 431.584 3.720 20 30 IHEDRO N#Cc1c[nH]c2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc12 ZINC001164753831 720894344 /nfs/dbraw/zinc/89/43/44/720894344.db2.gz HFANRBLYWKCMMQ-NVQXNPDNSA-N 1 0 442.567 3.585 20 30 IHEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(C#N)c5cc(Cl)ccc5n4)C3)O2)CC1 ZINC001164897924 721445401 /nfs/dbraw/zinc/44/54/01/721445401.db2.gz VDXFBSMPEGITCG-HYBUGGRVSA-N 1 0 439.991 3.525 20 30 IHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(c1C#N)CCCC3)CC2 ZINC001164788761 721473388 /nfs/dbraw/zinc/47/33/88/721473388.db2.gz JUCKZDSVXMAJBR-JOCHJYFZSA-N 1 0 438.616 3.566 20 30 IHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cc1 ZINC001164896902 721514061 /nfs/dbraw/zinc/51/40/61/721514061.db2.gz CBDRFYJYRSJVQO-JRFVFWCSSA-N 1 0 443.526 3.922 20 30 IHEDRO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(C#C[Si](C)(C)C)c1 ZINC001164807858 721571009 /nfs/dbraw/zinc/57/10/09/721571009.db2.gz TZOZSLPFZJNNST-HJOGWXRNSA-N 1 0 434.660 3.882 20 30 IHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C4(C#N)CCOCC4)cn3)C[C@@H]21 ZINC001165024585 721821846 /nfs/dbraw/zinc/82/18/46/721821846.db2.gz KNIBGTFZFXEKBM-NKKJXINNSA-N 1 0 431.584 3.785 20 30 IHEDRO C[Si](C)(C)C#Cc1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164964388 722061915 /nfs/dbraw/zinc/06/19/15/722061915.db2.gz GCVKAZFUPFQKDJ-UHFFFAOYSA-N 1 0 434.660 3.825 20 30 IHEDRO N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4ccc(C[NH+]5CCCC5)cn4)C3)C2)c1 ZINC001165005040 722259226 /nfs/dbraw/zinc/25/92/26/722259226.db2.gz UEIGNQIAFOTWFI-SANMLTNESA-N 1 0 431.584 3.672 20 30 IHEDRO C[NH+](C)CCN1C(=O)c2cccc3cc(NC(=O)Nc4ccc(C#N)cc4)cc(c32)C1=O ZINC000028712247 563062875 /nfs/dbraw/zinc/06/28/75/563062875.db2.gz HNSCQLRUYJFMJQ-UHFFFAOYSA-N 1 0 427.464 3.513 20 30 IHEDRO N#Cc1c(Cl)nc(C(F)(F)N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc1C(F)(F)F ZINC001164428370 718947667 /nfs/dbraw/zinc/94/76/67/718947667.db2.gz KXZQYOGBRRCYAS-CHWSQXEVSA-N 1 0 429.780 3.641 20 30 IHEDRO N#CCc1ccc(OCc2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2)cc1 ZINC001164731517 720446004 /nfs/dbraw/zinc/44/60/04/720446004.db2.gz LJYCWFPOEHSHIK-LOSJGSFVSA-N 1 0 425.536 3.975 20 30 IHEDRO CCCc1cc(C#N)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl ZINC001164748961 720834179 /nfs/dbraw/zinc/83/41/79/720834179.db2.gz VFFSIDYDDXLUNE-PCCBWWKXSA-N 1 0 439.995 3.530 20 30 IHEDRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C#C[Si](C)(C)C)c1 ZINC001164750259 720840869 /nfs/dbraw/zinc/84/08/69/720840869.db2.gz WXCHJUZCQAIBAJ-RBZQAINGSA-N 1 0 448.691 3.590 20 30 IHEDRO N#Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccc(Cl)cc12 ZINC001164749405 720856314 /nfs/dbraw/zinc/85/63/14/720856314.db2.gz NEFDGPYLFFJPJK-GREBRCKQSA-N 1 0 447.974 3.731 20 30 IHEDRO N#Cc1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164750866 720867452 /nfs/dbraw/zinc/86/74/52/720867452.db2.gz KBTBCGCQPZYJQD-ZJSXRUAMSA-N 1 0 437.975 3.757 20 30 IHEDRO N#Cc1c[nH]c2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc12 ZINC001164753827 720894615 /nfs/dbraw/zinc/89/46/15/720894615.db2.gz HFANRBLYWKCMMQ-BKMJKUGQSA-N 1 0 442.567 3.585 20 30 IHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)[C@H]2C ZINC001164861945 720977380 /nfs/dbraw/zinc/97/73/80/720977380.db2.gz RNGOBAZRYONMEC-PXNSSMCTSA-N 1 0 433.535 3.889 20 30 IHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)[C@H]2C ZINC001164861944 720978111 /nfs/dbraw/zinc/97/81/11/720978111.db2.gz RNGOBAZRYONMEC-FXAWDEMLSA-N 1 0 433.535 3.889 20 30 IHEDRO Cc1ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c(C#N)c(Cl)c2c1 ZINC001164869673 721197635 /nfs/dbraw/zinc/19/76/35/721197635.db2.gz RMDSYSCBGCPYCC-RTBURBONSA-N 1 0 433.943 3.943 20 30 IHEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc5ccccc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164897546 721431557 /nfs/dbraw/zinc/43/15/57/721431557.db2.gz UECBQILADNJCTB-KOSHJBKYSA-N 1 0 439.991 3.525 20 30 IHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(CC#N)cc1Cl)CC2 ZINC001164791313 721470066 /nfs/dbraw/zinc/47/00/66/721470066.db2.gz WZFRGGJDGDQKKK-FQEVSTJZSA-N 1 0 432.996 3.535 20 30 IHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)c(C#N)cc1Cl)CC2 ZINC001164790663 721473484 /nfs/dbraw/zinc/47/34/84/721473484.db2.gz UFAOYGUZPHILHN-FQEVSTJZSA-N 1 0 432.996 3.649 20 30 IHEDRO CCOC(=O)c1cc(C)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C#N ZINC001165027560 721807056 /nfs/dbraw/zinc/80/70/56/721807056.db2.gz WHCFHWSIKKTLAA-CDNPAEQRSA-N 1 0 433.556 3.570 20 30 IHEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975222 722143403 /nfs/dbraw/zinc/14/34/03/722143403.db2.gz GBTMUNKXEIPCHE-IFMALSPDSA-N 1 0 431.565 3.804 20 30 IHEDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C)cc3C#C[Si](C)(C)C)CC2)CC1 ZINC001164617918 719030010 /nfs/dbraw/zinc/03/00/10/719030010.db2.gz RVRQVAWSLBBBST-UHFFFAOYSA-N 1 0 427.665 3.863 20 30 IHEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164632517 719106527 /nfs/dbraw/zinc/10/65/27/719106527.db2.gz ZQELTLFDZZNKHE-PWRODBHTSA-N 1 0 433.556 3.526 20 30 IHEDRO Cc1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C#C[Si](C)(C)C)c1 ZINC001164823793 720331786 /nfs/dbraw/zinc/33/17/86/720331786.db2.gz BHGMUBCXUHIOKD-DHIUTWEWSA-N 1 0 438.692 3.530 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(C#N)cc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835832 720551179 /nfs/dbraw/zinc/55/11/79/720551179.db2.gz IDASEYZGTORLIS-FGTMMUONSA-N 1 0 434.922 3.726 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(C#N)ccc3NC(=O)C(C)(C)C)CC[C@@H]21 ZINC001164842258 720577968 /nfs/dbraw/zinc/57/79/68/720577968.db2.gz VDUQZRHNOJGUKX-CBQOVEMMSA-N 1 0 449.603 3.512 20 30 IHEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745172 720848575 /nfs/dbraw/zinc/84/85/75/720848575.db2.gz MFTOHQNQDKBRFN-RZUBCFFCSA-N 1 0 445.596 3.653 20 30 IHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc(C)c1C#N)CC2 ZINC001164789463 721451322 /nfs/dbraw/zinc/45/13/22/721451322.db2.gz WNNBQAKKBWRWOB-LJQANCHMSA-N 1 0 432.996 3.649 20 30 IHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C4(C#N)CCOCC4)cn3)C[C@H]21 ZINC001165024581 721821737 /nfs/dbraw/zinc/82/17/37/721821737.db2.gz KNIBGTFZFXEKBM-AGILITTLSA-N 1 0 431.584 3.785 20 30 IHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963795 722054940 /nfs/dbraw/zinc/05/49/40/722054940.db2.gz LCVKEAUNYBAXJQ-UHFFFAOYSA-N 1 0 447.917 3.666 20 30 IHEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985584 722138104 /nfs/dbraw/zinc/13/81/04/722138104.db2.gz ZZSLXQXRWFMNRW-GCJKJVERSA-N 1 0 433.943 3.882 20 30 IHEDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1 ZINC001164615340 719020329 /nfs/dbraw/zinc/02/03/29/719020329.db2.gz ILHCJTSCRGJXNY-SNRMKQJTSA-N 1 0 446.885 3.548 20 30 IHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C3(C#N)CCC3)cn1)CC2 ZINC001164784752 721459370 /nfs/dbraw/zinc/45/93/70/721459370.db2.gz KBWQSKCCRAIFOU-HSZRJFAPSA-N 1 0 438.616 3.761 20 30 IHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C3(C#N)CCC3)cn1)CC2 ZINC001164784762 721459642 /nfs/dbraw/zinc/45/96/42/721459642.db2.gz KBWQSKCCRAIFOU-QHCPKHFHSA-N 1 0 438.616 3.761 20 30 IHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C4(C#N)CCOCC4)cn3)C[C@H]21 ZINC001165024588 721821851 /nfs/dbraw/zinc/82/18/51/721821851.db2.gz KNIBGTFZFXEKBM-TUACAJSNSA-N 1 0 431.584 3.785 20 30 IHEDRO CSc1nc(Cl)c(C=NO)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953613 722015365 /nfs/dbraw/zinc/01/53/65/722015365.db2.gz VUILDZHQELPPPD-UHFFFAOYSA-N 1 0 432.981 3.548 20 30 IHEDRO C[Si](C)(C)C#Cc1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961509 722057598 /nfs/dbraw/zinc/05/75/98/722057598.db2.gz LBZJUBGCDBKBFT-UHFFFAOYSA-N 1 0 434.660 3.825 20 30 IHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979229 722102612 /nfs/dbraw/zinc/10/26/12/722102612.db2.gz HNGLIEIOPUBXST-RCZVLFRGSA-N 1 0 443.526 3.882 20 30 IHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)C2 ZINC001164806780 720074555 /nfs/dbraw/zinc/07/45/55/720074555.db2.gz DGQDJRPXUFKGTJ-AUUYWEPGSA-N 1 0 445.341 3.990 20 30 IHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3ccccc3c(Cl)c2C#N)CC1 ZINC001164832007 720336322 /nfs/dbraw/zinc/33/63/22/720336322.db2.gz SSUGPTSDSPHVOJ-LEWJYISDSA-N 1 0 437.975 3.671 20 30 IHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(-c3cccs3)ccc2C#N)CC1 ZINC001164822391 720340662 /nfs/dbraw/zinc/34/06/62/720340662.db2.gz DLJWIJFANPSFFW-SFTDATJTSA-N 1 0 435.597 3.593 20 30 IHEDRO N#CCc1ccc(OCc2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2)cc1 ZINC001164731515 720446655 /nfs/dbraw/zinc/44/66/55/720446655.db2.gz LJYCWFPOEHSHIK-DQEYMECFSA-N 1 0 425.536 3.975 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)nc(C#N)c3)CC[C@@H]21 ZINC001164833581 720540296 /nfs/dbraw/zinc/54/02/96/720540296.db2.gz ALORKMUOKUOFPI-SNRMKQJTSA-N 1 0 434.922 3.726 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(C#N)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841379 720548172 /nfs/dbraw/zinc/54/81/72/720548172.db2.gz UKTJGBBLJQBTAS-NZSAHSFTSA-N 1 0 434.922 3.726 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(C#N)ccc3NC(=O)C(C)(C)C)CC[C@@H]21 ZINC001164842261 720576954 /nfs/dbraw/zinc/57/69/54/720576954.db2.gz VDUQZRHNOJGUKX-VCOUNFBDSA-N 1 0 449.603 3.512 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(-c4ccncc4)ccc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836633 720595752 /nfs/dbraw/zinc/59/57/52/720595752.db2.gz GAFJTASXTOOJIH-WPFOTENUSA-N 1 0 427.556 3.590 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836266 720640166 /nfs/dbraw/zinc/64/01/66/720640166.db2.gz FOAVWDSIOSMKOI-QMHWCDLVSA-N 1 0 445.527 3.589 20 30 IHEDRO N#Cc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164750858 720867198 /nfs/dbraw/zinc/86/71/98/720867198.db2.gz KBTBCGCQPZYJQD-URXFXBBRSA-N 1 0 437.975 3.757 20 30 IHEDRO N#Cc1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164750861 720867546 /nfs/dbraw/zinc/86/75/46/720867546.db2.gz KBTBCGCQPZYJQD-XUZZJYLKSA-N 1 0 437.975 3.757 20 30 IHEDRO N#Cc1cnc(Cl)cc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753341 720874374 /nfs/dbraw/zinc/87/43/74/720874374.db2.gz PDDJJXYJJJDIHN-XUZZJYLKSA-N 1 0 437.975 3.757 20 30 IHEDRO Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1CC#N ZINC001164750705 720916623 /nfs/dbraw/zinc/91/66/23/720916623.db2.gz KCFSTPPYAICXAI-AZGAKELHSA-N 1 0 431.584 3.606 20 30 IHEDRO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(C#C[Si](C)(C)C)c1 ZINC001164807889 721570916 /nfs/dbraw/zinc/57/09/16/721570916.db2.gz TZOZSLPFZJNNST-KMDXXIMOSA-N 1 0 434.660 3.882 20 30 IHEDRO N#Cc1ccc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1Cl ZINC001164961162 722052135 /nfs/dbraw/zinc/05/21/35/722052135.db2.gz SZAACBIQFTVRIV-UHFFFAOYSA-N 1 0 447.917 3.666 20 30 IHEDRO N#Cc1c(Cl)nc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc1C(F)(F)F ZINC001164428381 718947328 /nfs/dbraw/zinc/94/73/28/718947328.db2.gz KXZQYOGBRRCYAS-OLZOCXBDSA-N 1 0 429.780 3.641 20 30 IHEDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1 ZINC001164615334 719020240 /nfs/dbraw/zinc/02/02/40/719020240.db2.gz ILHCJTSCRGJXNY-AYOQOUSVSA-N 1 0 446.885 3.548 20 30 IHEDRO Cc1ccc(CC#N)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164685698 719678238 /nfs/dbraw/zinc/67/82/38/719678238.db2.gz VTGADEQFEJALMW-QFIPXVFZSA-N 1 0 445.611 3.550 20 30 IHEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C#N)c3cc(Cl)ccc3n1)CCC2 ZINC001164816122 720243318 /nfs/dbraw/zinc/24/33/18/720243318.db2.gz HBQZSMJXCAHVFJ-UHFFFAOYSA-N 1 0 436.947 3.567 20 30 IHEDRO Cc1cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C#C[Si](C)(C)C)c1 ZINC001164823798 720332019 /nfs/dbraw/zinc/33/20/19/720332019.db2.gz BHGMUBCXUHIOKD-XZOQPEGZSA-N 1 0 438.692 3.530 20 30 IHEDRO 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N#CCc1ccc(OCc2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2)cc1 ZINC001164731516 720447000 /nfs/dbraw/zinc/44/70/00/720447000.db2.gz LJYCWFPOEHSHIK-JWQCQUIFSA-N 1 0 425.536 3.975 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)c(C#N)c3)CC[C@@H]21 ZINC001164841380 720547934 /nfs/dbraw/zinc/54/79/34/720547934.db2.gz UKTJGBBLJQBTAS-WDSOQIARSA-N 1 0 434.922 3.726 20 30 IHEDRO CSc1nc(-c2ccccc2)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1C#N ZINC001164729676 720571547 /nfs/dbraw/zinc/57/15/47/720571547.db2.gz SOYCEJXVVYZKLT-UHFFFAOYSA-N 1 0 445.596 3.592 20 30 IHEDRO CSc1nc(Cl)c(C#N)c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837074 720655541 /nfs/dbraw/zinc/65/55/41/720655541.db2.gz BFJWVXMCBPNDTB-KRWDZBQOSA-N 1 0 444.004 3.983 20 30 IHEDRO Cc1cc(C#N)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C ZINC001164756323 720884228 /nfs/dbraw/zinc/88/42/28/720884228.db2.gz PUOGSBIZBOJHGM-AOYPEHQESA-N 1 0 431.584 3.720 20 30 IHEDRO N#Cc1cnc2cc[nH]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c1-2 ZINC001164756215 720903840 /nfs/dbraw/zinc/90/38/40/720903840.db2.gz OHEIZZXHRAQFPQ-ATIYNZHBSA-N 1 0 442.567 3.585 20 30 IHEDRO N#Cc1cc2c(nc1N1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@H]3COCc1cccnc1)CCC2 ZINC001164747144 720910633 /nfs/dbraw/zinc/91/06/33/720910633.db2.gz BXZZTAICJVMTFS-RPLLCQBOSA-N 1 0 443.595 3.592 20 30 IHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164764800 721250485 /nfs/dbraw/zinc/25/04/85/721250485.db2.gz QFUMZCAAVJPFNC-IAGOWNOFSA-N 1 0 438.938 3.899 20 30 IHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cc1 ZINC001164896903 721514617 /nfs/dbraw/zinc/51/46/17/721514617.db2.gz CBDRFYJYRSJVQO-NHTMILBNSA-N 1 0 443.526 3.922 20 30 IHEDRO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(C#C[Si](C)(C)C)c1 ZINC001164807892 721570366 /nfs/dbraw/zinc/57/03/66/721570366.db2.gz TZOZSLPFZJNNST-SGNDLWITSA-N 1 0 434.660 3.882 20 30 IHEDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1 ZINC001164617896 719020342 /nfs/dbraw/zinc/02/03/42/719020342.db2.gz QJSQGHONBSAADE-ZYSHUDEJSA-N 1 0 446.885 3.548 20 30 IHEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164632503 719106373 /nfs/dbraw/zinc/10/63/73/719106373.db2.gz ZQELTLFDZZNKHE-HBMCJLEFSA-N 1 0 433.556 3.526 20 30 IHEDRO N#Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164753264 720873171 /nfs/dbraw/zinc/87/31/71/720873171.db2.gz OPVGWKRSZNWISO-QPPBQGQZSA-N 1 0 437.975 3.757 20 30 IHEDRO N#Cc1c(Cl)ccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747148 720879840 /nfs/dbraw/zinc/87/98/40/720879840.db2.gz AFLOITOINOERDD-GBXCKJPGSA-N 1 0 437.975 3.757 20 30 IHEDRO N#Cc1c(Cl)ccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747166 720880241 /nfs/dbraw/zinc/88/02/41/720880241.db2.gz AFLOITOINOERDD-YKSBVNFPSA-N 1 0 437.975 3.757 20 30 IHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164868835 721196960 /nfs/dbraw/zinc/19/69/60/721196960.db2.gz OCZVNHRCRFCOHL-MOPGFXCFSA-N 1 0 433.943 3.943 20 30 IHEDRO Cc1ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c(C#N)c(Cl)c2c1 ZINC001164869671 721197548 /nfs/dbraw/zinc/19/75/48/721197548.db2.gz RMDSYSCBGCPYCC-RBUKOAKNSA-N 1 0 433.943 3.943 20 30 IHEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(C5(C#N)CCOCC5)cn4)CC3)C2)cc1 ZINC001164940711 721930145 /nfs/dbraw/zinc/93/01/45/721930145.db2.gz YDUCJIMUBUYEIR-UHFFFAOYSA-N 1 0 446.595 3.833 20 30 IHEDRO N#Cc1c(Cl)cc(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164965581 722062031 /nfs/dbraw/zinc/06/20/31/722062031.db2.gz KTRVKOKOVXCLNK-UHFFFAOYSA-N 1 0 432.355 3.774 20 30 IHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)C2 ZINC001164806787 720074307 /nfs/dbraw/zinc/07/43/07/720074307.db2.gz DGQDJRPXUFKGTJ-KUHUBIRLSA-N 1 0 445.341 3.990 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc(C#N)c(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841243 720511235 /nfs/dbraw/zinc/51/12/35/720511235.db2.gz XYNKNAXQUYRBSG-FGTMMUONSA-N 1 0 434.922 3.726 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccnc(Cl)c3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839059 720515271 /nfs/dbraw/zinc/51/52/71/720515271.db2.gz SIYRMKYDDFCQBS-TXPKVOOTSA-N 1 0 434.922 3.726 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C#N)CC[C@@H]21 ZINC001164834171 720527862 /nfs/dbraw/zinc/52/78/62/720527862.db2.gz CLUPLCOVPUNHGI-GJYPPUQNSA-N 1 0 434.922 3.726 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(C#N)cc(Cl)n3)CC[C@@H]21 ZINC001164835834 720550780 /nfs/dbraw/zinc/55/07/80/720550780.db2.gz IDASEYZGTORLIS-SQNIBIBYSA-N 1 0 434.922 3.726 20 30 IHEDRO Cc1cc(C#N)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C ZINC001164756322 720883979 /nfs/dbraw/zinc/88/39/79/720883979.db2.gz PUOGSBIZBOJHGM-AHWVRZQESA-N 1 0 431.584 3.720 20 30 IHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869574 721190082 /nfs/dbraw/zinc/19/00/82/721190082.db2.gz QOKCLEZUZWGPAR-ZWKOTPCHSA-N 1 0 437.906 3.774 20 30 IHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c12 ZINC001165012529 721751086 /nfs/dbraw/zinc/75/10/86/721751086.db2.gz KELKMAAVLZFRPP-UHFFFAOYSA-N 1 0 443.954 3.730 20 30 IHEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985578 722138275 /nfs/dbraw/zinc/13/82/75/722138275.db2.gz ZZSLXQXRWFMNRW-AVRDEDQJSA-N 1 0 433.943 3.882 20 30 IHEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985586 722138415 /nfs/dbraw/zinc/13/84/15/722138415.db2.gz ZZSLXQXRWFMNRW-PGRDOPGGSA-N 1 0 433.943 3.882 20 30 IHEDRO CC[NH+](CC)Cc1ccc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc1 ZINC000030839618 259085329 /nfs/dbraw/zinc/08/53/29/259085329.db2.gz JZCZFPYHBGVXGX-UHFFFAOYSA-N 1 0 430.556 3.531 20 30 IHEDRO 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C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C3(C#N)CCOCC3)cn1)CC2 ZINC001164841751 720707928 /nfs/dbraw/zinc/70/79/28/720707928.db2.gz WPBFEVMHERALKI-DEOSSOPVSA-N 1 0 446.595 3.913 20 30 IHEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C3(C#N)CCOCC3)cn1)CC2 ZINC001164841754 720708805 /nfs/dbraw/zinc/70/88/05/720708805.db2.gz WPBFEVMHERALKI-XMMPIXPASA-N 1 0 446.595 3.913 20 30 IHEDRO N#Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccc(Cl)cc12 ZINC001164749430 720856276 /nfs/dbraw/zinc/85/62/76/720856276.db2.gz NEFDGPYLFFJPJK-QMHWCDLVSA-N 1 0 447.974 3.731 20 30 IHEDRO N#Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164753268 720873416 /nfs/dbraw/zinc/87/34/16/720873416.db2.gz OPVGWKRSZNWISO-URXFXBBRSA-N 1 0 437.975 3.757 20 30 IHEDRO N#Cc1cc(Cl)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751703 720900432 /nfs/dbraw/zinc/90/04/32/720900432.db2.gz DCJYIDVWJSPZND-XUZZJYLKSA-N 1 0 437.975 3.757 20 30 IHEDRO N#Cc1cc2c(nc1N1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@@H]3COCc1cccnc1)CCC2 ZINC001164747151 720911168 /nfs/dbraw/zinc/91/11/68/720911168.db2.gz BXZZTAICJVMTFS-SHQCIBLASA-N 1 0 443.595 3.592 20 30 IHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870900 721051783 /nfs/dbraw/zinc/05/17/83/721051783.db2.gz XERHDVDENSGJDK-PKTZIBPZSA-N 1 0 429.499 3.634 20 30 IHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869570 721190578 /nfs/dbraw/zinc/19/05/78/721190578.db2.gz QOKCLEZUZWGPAR-QZTJIDSGSA-N 1 0 437.906 3.774 20 30 IHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869545 721190723 /nfs/dbraw/zinc/19/07/23/721190723.db2.gz QOKCLEZUZWGPAR-MSOLQXFVSA-N 1 0 437.906 3.774 20 30 IHEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(C#N)c5cc(Cl)ccc5n4)C3)O2)CC1 ZINC001164897920 721445661 /nfs/dbraw/zinc/44/56/61/721445661.db2.gz VDXFBSMPEGITCG-GBXCKJPGSA-N 1 0 439.991 3.525 20 30 IHEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(C#N)c5cc(Cl)ccc5n4)C3)O2)CC1 ZINC001164897935 721445809 /nfs/dbraw/zinc/44/58/09/721445809.db2.gz VDXFBSMPEGITCG-YKSBVNFPSA-N 1 0 439.991 3.525 20 30 IHEDRO CCOC(=O)c1cc(C)nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1C#N ZINC001164938942 721923704 /nfs/dbraw/zinc/92/37/04/721923704.db2.gz CMAUOLLTKFIUHL-UHFFFAOYSA-N 1 0 448.567 3.618 20 30 IHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963863 722056598 /nfs/dbraw/zinc/05/65/98/722056598.db2.gz OSAYXDSCTGHIRH-UHFFFAOYSA-N 1 0 447.917 3.666 20 30 IHEDRO C[N@H+](Cc1ccc(N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)nc1)C1CC1 ZINC001165005615 722258931 /nfs/dbraw/zinc/25/89/31/722258931.db2.gz YNGKYPXMQSMWRR-AREMUKBSSA-N 1 0 431.584 3.671 20 30 IHEDRO N#Cc1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c(OC(F)F)c1 ZINC001473641482 1126198323 /nfs/dbraw/zinc/19/83/23/1126198323.db2.gz PGJAGPNQSJMFJT-FQEVSTJZSA-N 1 0 437.284 3.932 20 30 IHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c12 ZINC001164680955 719654125 /nfs/dbraw/zinc/65/41/25/719654125.db2.gz JTGGLEODJOROIC-UHFFFAOYSA-N 1 0 426.927 3.879 20 30 IHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc([C@@H](C#N)c3ccc(C)cc3)nn1)C2 ZINC001164812756 720076976 /nfs/dbraw/zinc/07/69/76/720076976.db2.gz RRVDLKBJNMLWMM-FXSPECFOSA-N 1 0 431.584 3.625 20 30 IHEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C3(C#N)CCC3)cn1)CC2 ZINC001164716984 720117496 /nfs/dbraw/zinc/11/74/96/720117496.db2.gz MVRBSVHHQZGHJF-HSZRJFAPSA-N 1 0 431.584 3.929 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3c(C#N)cnc4cnc(Cl)cc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837299 720516627 /nfs/dbraw/zinc/51/66/27/720516627.db2.gz PBKJLWOWVMCZSM-DJPFJPOOSA-N 1 0 435.963 3.729 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc(Cl)nc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834173 720527326 /nfs/dbraw/zinc/52/73/26/720527326.db2.gz CLUPLCOVPUNHGI-JTDSTZFVSA-N 1 0 434.922 3.726 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(C#N)cc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835833 720550867 /nfs/dbraw/zinc/55/08/67/720550867.db2.gz IDASEYZGTORLIS-OKZBNKHCSA-N 1 0 434.922 3.726 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(C#N)cc(Cl)n3)CC[C@@H]21 ZINC001164835831 720550966 /nfs/dbraw/zinc/55/09/66/720550966.db2.gz IDASEYZGTORLIS-BZSNNMDCSA-N 1 0 434.922 3.726 20 30 IHEDRO CC1(C)CCCc2cc(C#N)c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164744673 720859770 /nfs/dbraw/zinc/85/97/70/720859770.db2.gz CEPTZVFBBFAJEL-YTFSRNRJSA-N 1 0 445.615 3.538 20 30 IHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c12 ZINC001164764803 721250732 /nfs/dbraw/zinc/25/07/32/721250732.db2.gz QFUMZCAAVJPFNC-IRXDYDNUSA-N 1 0 438.938 3.899 20 30 IHEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc4ccc(C#N)cc43)C2)C1 ZINC001164777228 721346593 /nfs/dbraw/zinc/34/65/93/721346593.db2.gz FDJVOTNNSIKNHJ-VWLOTQADSA-N 1 0 431.540 3.830 20 30 IHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)c(Cl)c(C)c1C#N)CC2 ZINC001164783276 721451665 /nfs/dbraw/zinc/45/16/65/721451665.db2.gz BAEMJNVRBDRRQQ-HXUWFJFHSA-N 1 0 447.023 3.957 20 30 IHEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3cc(F)c(F)cc3c(Cl)c2C#N)CC1 ZINC001165013301 721750550 /nfs/dbraw/zinc/75/05/50/721750550.db2.gz XPEOWAIBHRQVGZ-UHFFFAOYSA-N 1 0 447.917 3.561 20 30 IHEDRO N#Cc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001164957427 722024385 /nfs/dbraw/zinc/02/43/85/722024385.db2.gz BQEPKJOKJGRVTR-UHFFFAOYSA-N 1 0 428.496 3.902 20 30 IHEDRO Cc1c(Cl)c(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164978407 722106012 /nfs/dbraw/zinc/10/60/12/722106012.db2.gz GUKLDUBOBRJJAL-FUHWJXTLSA-N 1 0 432.355 3.691 20 30 IHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)C2 ZINC001164806786 720074032 /nfs/dbraw/zinc/07/40/32/720074032.db2.gz DGQDJRPXUFKGTJ-IFXJQAMLSA-N 1 0 445.341 3.990 20 30 IHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc([C@H](C#N)c3ccc(C)cc3)nn1)C2 ZINC001164812759 720076727 /nfs/dbraw/zinc/07/67/27/720076727.db2.gz RRVDLKBJNMLWMM-PPJWLVRDSA-N 1 0 431.584 3.625 20 30 IHEDRO Cc1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C#C[Si](C)(C)C)c1 ZINC001164823795 720332026 /nfs/dbraw/zinc/33/20/26/720332026.db2.gz BHGMUBCXUHIOKD-GOTSBHOMSA-N 1 0 438.692 3.530 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc(Cl)nc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834175 720528099 /nfs/dbraw/zinc/52/80/99/720528099.db2.gz CLUPLCOVPUNHGI-TXPKVOOTSA-N 1 0 434.922 3.726 20 30 IHEDRO N#Cc1cnc(Cl)cc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753335 720874586 /nfs/dbraw/zinc/87/45/86/720874586.db2.gz PDDJJXYJJJDIHN-QPPBQGQZSA-N 1 0 437.975 3.757 20 30 IHEDRO N#Cc1cc(Cl)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751704 720900147 /nfs/dbraw/zinc/90/01/47/720900147.db2.gz DCJYIDVWJSPZND-ZJSXRUAMSA-N 1 0 437.975 3.757 20 30 IHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870899 721051915 /nfs/dbraw/zinc/05/19/15/721051915.db2.gz XERHDVDENSGJDK-GOTSBHOMSA-N 1 0 429.499 3.634 20 30 IHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164764796 721250436 /nfs/dbraw/zinc/25/04/36/721250436.db2.gz QFUMZCAAVJPFNC-DLBZAZTESA-N 1 0 438.938 3.899 20 30 IHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)C2 ZINC001164813064 720173254 /nfs/dbraw/zinc/17/32/54/720173254.db2.gz CMACLGVJXHXUDK-SQHAQQRYSA-N 1 0 446.595 3.911 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(-c4ccncc4)ccc3C#N)CC[C@@H]21 ZINC001164836630 720596210 /nfs/dbraw/zinc/59/62/10/720596210.db2.gz GAFJTASXTOOJIH-GPXNEJASSA-N 1 0 427.556 3.590 20 30 IHEDRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C#C[Si](C)(C)C)c1 ZINC001164750262 720840997 /nfs/dbraw/zinc/84/09/97/720840997.db2.gz WXCHJUZCQAIBAJ-TZRRMPRUSA-N 1 0 448.691 3.590 20 30 IHEDRO N#Cc1cnc(Cl)cc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753338 720874397 /nfs/dbraw/zinc/87/43/97/720874397.db2.gz PDDJJXYJJJDIHN-URXFXBBRSA-N 1 0 437.975 3.757 20 30 IHEDRO N#Cc1c(Cl)ccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747161 720880290 /nfs/dbraw/zinc/88/02/90/720880290.db2.gz AFLOITOINOERDD-RDPSFJRHSA-N 1 0 437.975 3.757 20 30 IHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164868840 721198118 /nfs/dbraw/zinc/19/81/18/721198118.db2.gz OCZVNHRCRFCOHL-RTBURBONSA-N 1 0 433.943 3.943 20 30 IHEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc5ccccc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164897549 721431684 /nfs/dbraw/zinc/43/16/84/721431684.db2.gz UECBQILADNJCTB-MHECFPHRSA-N 1 0 439.991 3.525 20 30 IHEDRO N#C[C@H](c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nn1)c1ccccc1F ZINC001164911972 721542274 /nfs/dbraw/zinc/54/22/74/721542274.db2.gz XVCRMJRZRIETJX-VCOUNFBDSA-N 1 0 447.489 3.752 20 30 IHEDRO N#Cc1cc(C#N)c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164908451 721702381 /nfs/dbraw/zinc/70/23/81/721702381.db2.gz ZGQGYSBMYHMOMN-HXUWFJFHSA-N 1 0 428.874 3.611 20 30 IHEDRO Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001165034867 721895509 /nfs/dbraw/zinc/89/55/09/721895509.db2.gz HRCRJCREZPXFFO-AVRDEDQJSA-N 1 0 449.580 3.507 20 30 IHEDRO N#Cc1cc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cnc1Cl ZINC001164962256 722056091 /nfs/dbraw/zinc/05/60/91/722056091.db2.gz BYBFUVKSNYNOME-UHFFFAOYSA-N 1 0 447.917 3.666 20 30 IHEDRO N#Cc1ccc(-c2ccncc2)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961647 722059359 /nfs/dbraw/zinc/05/93/59/722059359.db2.gz NOPCFVPZAMWWNH-UHFFFAOYSA-N 1 0 440.551 3.529 20 30 IHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164628379 719098693 /nfs/dbraw/zinc/09/86/93/719098693.db2.gz MOPGOHFOOQAZKV-MIZPHKNDSA-N 1 0 441.535 3.511 20 30 IHEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164632509 719106356 /nfs/dbraw/zinc/10/63/56/719106356.db2.gz ZQELTLFDZZNKHE-NJDAHSKKSA-N 1 0 433.556 3.526 20 30 IHEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C)c1C#N)CC2 ZINC001164712039 720096676 /nfs/dbraw/zinc/09/66/76/720096676.db2.gz ULVUHOHJJBKRGB-IBGZPJMESA-N 1 0 425.964 3.818 20 30 IHEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(c1C#N)CCCC3)CC2 ZINC001164715678 720156149 /nfs/dbraw/zinc/15/61/49/720156149.db2.gz VYHZFDWFBIGONJ-JOCHJYFZSA-N 1 0 431.584 3.735 20 30 IHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)C2 ZINC001164813063 720173111 /nfs/dbraw/zinc/17/31/11/720173111.db2.gz CMACLGVJXHXUDK-SHQCIBLASA-N 1 0 446.595 3.911 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccnc(Cl)c3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839058 720514679 /nfs/dbraw/zinc/51/46/79/720514679.db2.gz SIYRMKYDDFCQBS-JTDSTZFVSA-N 1 0 434.922 3.726 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3C#N)CC[C@@H]21 ZINC001164839057 720515366 /nfs/dbraw/zinc/51/53/66/720515366.db2.gz SIYRMKYDDFCQBS-GJYPPUQNSA-N 1 0 434.922 3.726 20 30 IHEDRO CCOC(=O)c1cc(C)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164842014 720676010 /nfs/dbraw/zinc/67/60/10/720676010.db2.gz KZVBKCFZSOUDNF-NRFANRHFSA-N 1 0 448.567 3.698 20 30 IHEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745170 720848304 /nfs/dbraw/zinc/84/83/04/720848304.db2.gz MFTOHQNQDKBRFN-JAXLGGSGSA-N 1 0 445.596 3.653 20 30 IHEDRO COc1cc(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c(C#N)c(Cl)n1 ZINC001164864177 720977188 /nfs/dbraw/zinc/97/71/88/720977188.db2.gz YUDGXOOACOHHAC-CYBMUJFWSA-N 1 0 438.910 3.778 20 30 IHEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C4(C#N)CCC4)cn3)C2)C1 ZINC001164779413 721350203 /nfs/dbraw/zinc/35/02/03/721350203.db2.gz SYPPCYSTZUNLST-XMMPIXPASA-N 1 0 435.572 3.751 20 30 IHEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C4(C#N)CCC4)cn3)C2)C1 ZINC001164779410 721350287 /nfs/dbraw/zinc/35/02/87/721350287.db2.gz SYPPCYSTZUNLST-DEOSSOPVSA-N 1 0 435.572 3.751 20 30 IHEDRO Cc1c(Cl)c(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164978404 722106121 /nfs/dbraw/zinc/10/61/21/722106121.db2.gz GUKLDUBOBRJJAL-AEFFLSMTSA-N 1 0 432.355 3.691 20 30 IHEDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1 ZINC001164617890 719020154 /nfs/dbraw/zinc/02/01/54/719020154.db2.gz QJSQGHONBSAADE-MNEFBYGVSA-N 1 0 446.885 3.548 20 30 IHEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(CC#N)cc1Cl)CC2 ZINC001164714638 720149915 /nfs/dbraw/zinc/14/99/15/720149915.db2.gz XURQQSJTVXVSOD-FQEVSTJZSA-N 1 0 425.964 3.704 20 30 IHEDRO Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1CC#N ZINC001164750708 720916953 /nfs/dbraw/zinc/91/69/53/720916953.db2.gz KCFSTPPYAICXAI-RSXGOPAZSA-N 1 0 431.584 3.606 20 30 IHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870897 721052199 /nfs/dbraw/zinc/05/21/99/721052199.db2.gz XERHDVDENSGJDK-DHIUTWEWSA-N 1 0 429.499 3.634 20 30 IHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3c(cc1C#N)CCCC3)CC2 ZINC001164791794 721466696 /nfs/dbraw/zinc/46/66/96/721466696.db2.gz ZIPKGWLWKCRKFD-QHCPKHFHSA-N 1 0 438.616 3.566 20 30 IHEDRO CSc1nc(Cl)c(C#N)c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792528 721489266 /nfs/dbraw/zinc/48/92/66/721489266.db2.gz KBSPXQTVXVHPPK-UHFFFAOYSA-N 1 0 428.993 4.000 20 30 IHEDRO N#C[C@H](c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1)c1ccccc1F ZINC001164911970 721542370 /nfs/dbraw/zinc/54/23/70/721542370.db2.gz XVCRMJRZRIETJX-UZKOGDIHSA-N 1 0 447.489 3.752 20 30 IHEDRO Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164985456 722133994 /nfs/dbraw/zinc/13/39/94/722133994.db2.gz ZOOJZLYITSAJPC-BJKOFHAPSA-N 1 0 434.660 3.741 20 30 IHEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975226 722143214 /nfs/dbraw/zinc/14/32/14/722143214.db2.gz GBTMUNKXEIPCHE-RBBKRZOGSA-N 1 0 431.565 3.804 20 30 IHEDRO Cc1cc(C#N)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1C ZINC001164680011 719664553 /nfs/dbraw/zinc/66/45/53/719664553.db2.gz BZGKFUZVZKUNGP-OAQYLSRUSA-N 1 0 445.611 3.664 20 30 IHEDRO Cc1cnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C#C[Si](C)(C)C)c1 ZINC001164823796 720331908 /nfs/dbraw/zinc/33/19/08/720331908.db2.gz BHGMUBCXUHIOKD-PKTZIBPZSA-N 1 0 438.692 3.530 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3c(C#N)cnc4cnc(Cl)cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837309 720516950 /nfs/dbraw/zinc/51/69/50/720516950.db2.gz PBKJLWOWVMCZSM-PLMTUMEDSA-N 1 0 435.963 3.729 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(C#N)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833582 720539922 /nfs/dbraw/zinc/53/99/22/720539922.db2.gz ALORKMUOKUOFPI-ZYSHUDEJSA-N 1 0 434.922 3.726 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(C#N)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841381 720548274 /nfs/dbraw/zinc/54/82/74/720548274.db2.gz UKTJGBBLJQBTAS-YTQUADARSA-N 1 0 434.922 3.726 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)cc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843147 720577600 /nfs/dbraw/zinc/57/76/00/720577600.db2.gz WXWSSGUJJCWACX-ZIFCJYIRSA-N 1 0 434.922 3.726 20 30 IHEDRO CCCc1cc(C#N)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl ZINC001164748965 720834360 /nfs/dbraw/zinc/83/43/60/720834360.db2.gz VFFSIDYDDXLUNE-QHAWAJNXSA-N 1 0 439.995 3.530 20 30 IHEDRO N#Cc1c(Cl)ccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747156 720879874 /nfs/dbraw/zinc/87/98/74/720879874.db2.gz AFLOITOINOERDD-HYBUGGRVSA-N 1 0 437.975 3.757 20 30 IHEDRO N#Cc1cnc2cc[nH]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c1-2 ZINC001164756218 720904069 /nfs/dbraw/zinc/90/40/69/720904069.db2.gz OHEIZZXHRAQFPQ-NVQXNPDNSA-N 1 0 442.567 3.585 20 30 IHEDRO CSc1nc(Cl)c(C#N)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165017798 721798515 /nfs/dbraw/zinc/79/85/15/721798515.db2.gz ARFQIXWLULLEAI-WBAXXEDZSA-N 1 0 428.993 3.855 20 30 IHEDRO N#CCc1ccc(OCc2ccc(N3CC[NH+](CCOc4ccccc4)CC3)nc2)cc1 ZINC001165045433 721960214 /nfs/dbraw/zinc/96/02/14/721960214.db2.gz TVRBXQSIVHLOMN-UHFFFAOYSA-N 1 0 428.536 3.928 20 30 IHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979222 722102420 /nfs/dbraw/zinc/10/24/20/722102420.db2.gz HNGLIEIOPUBXST-DHLKQENFSA-N 1 0 443.526 3.882 20 30 IHEDRO N#Cc1cccc(N2CCOC[C@]3(CCCN(c4ncccc4C[NH+]4CCCC4)C3)C2)c1 ZINC001165005541 722259075 /nfs/dbraw/zinc/25/90/75/722259075.db2.gz XXBCTIJRQDZHAI-AREMUKBSSA-N 1 0 431.584 3.672 20 30 IHEDRO N#Cc1c(Cl)nc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)nc1C(F)(F)F ZINC001164428385 718947294 /nfs/dbraw/zinc/94/72/94/718947294.db2.gz KXZQYOGBRRCYAS-STQMWFEESA-N 1 0 429.780 3.641 20 30 IHEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C)c1C#N)CC2 ZINC001164712042 720096357 /nfs/dbraw/zinc/09/63/57/720096357.db2.gz ULVUHOHJJBKRGB-LJQANCHMSA-N 1 0 425.964 3.818 20 30 IHEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccc(F)cc3)ccc1C#N)CCC2 ZINC001164812020 720213031 /nfs/dbraw/zinc/21/30/31/720213031.db2.gz KQNQLJNOJADVGH-UHFFFAOYSA-N 1 0 446.530 3.567 20 30 IHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(-c3ccc(F)cc3)ccc2C#N)CC1 ZINC001164820594 720295210 /nfs/dbraw/zinc/29/52/10/720295210.db2.gz HTDUQSSYVFHMQL-RPWUZVMVSA-N 1 0 447.558 3.671 20 30 IHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC001164823547 720350454 /nfs/dbraw/zinc/35/04/54/720350454.db2.gz GZTCZWVKNZCEGY-FCHUYYIVSA-N 1 0 437.975 3.671 20 30 IHEDRO N#CCc1ccc(OCc2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc2)cc1 ZINC001164736778 720583801 /nfs/dbraw/zinc/58/38/01/720583801.db2.gz TZHQNNJJQKBIMH-UHFFFAOYSA-N 1 0 442.567 3.582 20 30 IHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164746978 720593311 /nfs/dbraw/zinc/59/33/11/720593311.db2.gz YUNILWSXOZZJHU-UHFFFAOYSA-N 1 0 449.946 3.649 20 30 IHEDRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C#C[Si](C)(C)C)c1 ZINC001164750255 720841154 /nfs/dbraw/zinc/84/11/54/720841154.db2.gz WXCHJUZCQAIBAJ-KMDXXIMOSA-N 1 0 448.691 3.590 20 30 IHEDRO N#Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccc(Cl)cc12 ZINC001164749417 720856008 /nfs/dbraw/zinc/85/60/08/720856008.db2.gz NEFDGPYLFFJPJK-JXHRLWIKSA-N 1 0 447.974 3.731 20 30 IHEDRO Cc1cc(C#N)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C ZINC001164756324 720884294 /nfs/dbraw/zinc/88/42/94/720884294.db2.gz PUOGSBIZBOJHGM-AZGAKELHSA-N 1 0 431.584 3.720 20 30 IHEDRO N#Cc1cnc2cc[nH]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c1-2 ZINC001164756217 720903609 /nfs/dbraw/zinc/90/36/09/720903609.db2.gz OHEIZZXHRAQFPQ-GJZUVCINSA-N 1 0 442.567 3.585 20 30 IHEDRO Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1CC#N ZINC001164750697 720915587 /nfs/dbraw/zinc/91/55/87/720915587.db2.gz KCFSTPPYAICXAI-AHWVRZQESA-N 1 0 431.584 3.606 20 30 IHEDRO COc1cc(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c(C#N)c(Cl)n1 ZINC001164864178 720977807 /nfs/dbraw/zinc/97/78/07/720977807.db2.gz YUDGXOOACOHHAC-ZDUSSCGKSA-N 1 0 438.910 3.778 20 30 IHEDRO Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001165034869 721895666 /nfs/dbraw/zinc/89/56/66/721895666.db2.gz HRCRJCREZPXFFO-GCJKJVERSA-N 1 0 449.580 3.507 20 30 IHEDRO Cc1c(Cl)c(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164978412 722106212 /nfs/dbraw/zinc/10/62/12/722106212.db2.gz GUKLDUBOBRJJAL-SJLPKXTDSA-N 1 0 432.355 3.691 20 30 IHEDRO CC1(C)CCCc2cc(C#N)c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164975292 722156284 /nfs/dbraw/zinc/15/62/84/722156284.db2.gz RJTMPKWBVVRGNH-GMAHTHKFSA-N 1 0 431.584 3.689 20 30 IHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)cc2c1Cl ZINC001164409888 718866341 /nfs/dbraw/zinc/86/63/41/718866341.db2.gz VCVMPPMIEZAQAN-MEDUHNTESA-N 1 0 427.282 3.773 20 30 IHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164415785 718892690 /nfs/dbraw/zinc/89/26/90/718892690.db2.gz AXNBUXPWXNQNNM-INIZCTEOSA-N 1 0 426.895 3.687 20 30 IHEDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1 ZINC001164617893 719020055 /nfs/dbraw/zinc/02/00/55/719020055.db2.gz QJSQGHONBSAADE-SNRMKQJTSA-N 1 0 446.885 3.548 20 30 IHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628387 719098530 /nfs/dbraw/zinc/09/85/30/719098530.db2.gz MOPGOHFOOQAZKV-MZKRTTBSSA-N 1 0 441.535 3.511 20 30 IHEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1C#N ZINC001164724264 720404017 /nfs/dbraw/zinc/40/40/17/720404017.db2.gz IQNSDJWLRZCKFJ-RTWAWAEBSA-N 1 0 428.565 3.985 20 30 IHEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1C#N ZINC001164724263 720404231 /nfs/dbraw/zinc/40/42/31/720404231.db2.gz IQNSDJWLRZCKFJ-NHCUHLMSSA-N 1 0 428.565 3.985 20 30 IHEDRO N#CCc1ccc(OCc2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2)cc1 ZINC001164731518 720446393 /nfs/dbraw/zinc/44/63/93/720446393.db2.gz LJYCWFPOEHSHIK-RPBOFIJWSA-N 1 0 425.536 3.975 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)ccc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836722 720550823 /nfs/dbraw/zinc/55/08/23/720550823.db2.gz KSTIFUSACWFEDK-FGTMMUONSA-N 1 0 434.922 3.726 20 30 IHEDRO N#Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccc(Cl)cc12 ZINC001164749423 720856247 /nfs/dbraw/zinc/85/62/47/720856247.db2.gz NEFDGPYLFFJPJK-KKLQWCBXSA-N 1 0 447.974 3.731 20 30 IHEDRO N#Cc1cnc(Cl)cc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753343 720873916 /nfs/dbraw/zinc/87/39/16/720873916.db2.gz PDDJJXYJJJDIHN-ZJSXRUAMSA-N 1 0 437.975 3.757 20 30 IHEDRO N#Cc1c[nH]c2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc12 ZINC001164753829 720894609 /nfs/dbraw/zinc/89/46/09/720894609.db2.gz HFANRBLYWKCMMQ-GJZUVCINSA-N 1 0 442.567 3.585 20 30 IHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C#N)c3ccccc3n1)CC2 ZINC001164787390 721466963 /nfs/dbraw/zinc/46/69/63/721466963.db2.gz FFWSIJDRDYUOPY-QFIPXVFZSA-N 1 0 434.584 3.840 20 30 IHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c12 ZINC001165013257 721750657 /nfs/dbraw/zinc/75/06/57/721750657.db2.gz VXWRIKHCPYYLKA-UHFFFAOYSA-N 1 0 425.964 3.591 20 30 IHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@H]4C3)cc2c1Cl ZINC001164409889 718866182 /nfs/dbraw/zinc/86/61/82/718866182.db2.gz VCVMPPMIEZAQAN-ZBEGNZNMSA-N 1 0 427.282 3.773 20 30 IHEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(c1C#N)CCCC3)CC2 ZINC001164715681 720155779 /nfs/dbraw/zinc/15/57/79/720155779.db2.gz VYHZFDWFBIGONJ-QFIPXVFZSA-N 1 0 431.584 3.735 20 30 IHEDRO N#Cc1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751702 720899812 /nfs/dbraw/zinc/89/98/12/720899812.db2.gz DCJYIDVWJSPZND-URXFXBBRSA-N 1 0 437.975 3.757 20 30 IHEDRO N#Cc1cc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2[nH]1 ZINC001164746525 720906622 /nfs/dbraw/zinc/90/66/22/720906622.db2.gz BICHDGCNDCRGDG-QFQXNSOFSA-N 1 0 442.567 3.585 20 30 IHEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc4ccc(C#N)cc43)C2)C1 ZINC001164777223 721346309 /nfs/dbraw/zinc/34/63/09/721346309.db2.gz FDJVOTNNSIKNHJ-RUZDIDTESA-N 1 0 431.540 3.830 20 30 IHEDRO C=CCOCc1nn(C)c2c1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164780453 721445910 /nfs/dbraw/zinc/44/59/10/721445910.db2.gz ARHOHGUMBQHKDF-UHFFFAOYSA-N 1 0 429.568 3.639 20 30 IHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)cc1 ZINC001164896905 721514206 /nfs/dbraw/zinc/51/42/06/721514206.db2.gz CBDRFYJYRSJVQO-XWGVYQGASA-N 1 0 443.526 3.922 20 30 IHEDRO N#C[C@H](c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nn1)c1ccccc1F ZINC001164911968 721542089 /nfs/dbraw/zinc/54/20/89/721542089.db2.gz XVCRMJRZRIETJX-DWLFOUALSA-N 1 0 447.489 3.752 20 30 IHEDRO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c(C#C[Si](C)(C)C)c1 ZINC001164807895 721570189 /nfs/dbraw/zinc/57/01/89/721570189.db2.gz TZOZSLPFZJNNST-TZRRMPRUSA-N 1 0 434.660 3.882 20 30 IHEDRO Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001165034874 721895635 /nfs/dbraw/zinc/89/56/35/721895635.db2.gz HRCRJCREZPXFFO-XMSQKQJNSA-N 1 0 449.580 3.507 20 30 IHEDRO N#Cc1cc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc(Cl)n1 ZINC001164964170 722055501 /nfs/dbraw/zinc/05/55/01/722055501.db2.gz SFOXTEPXRARCMR-UHFFFAOYSA-N 1 0 447.917 3.666 20 30 IHEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975229 722143059 /nfs/dbraw/zinc/14/30/59/722143059.db2.gz GBTMUNKXEIPCHE-UNMCSNQZSA-N 1 0 431.565 3.804 20 30 IHEDRO CC1(C)CCCc2cc(C#N)c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164975291 722156042 /nfs/dbraw/zinc/15/60/42/722156042.db2.gz RJTMPKWBVVRGNH-GGAORHGYSA-N 1 0 431.584 3.689 20 30 IHEDRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc([C@@H](C#N)c4ccc(C)cc4)nn3)CC2)CC1 ZINC001164614061 719021910 /nfs/dbraw/zinc/02/19/10/719021910.db2.gz MGMZRPKXDYOXKG-QHCPKHFHSA-N 1 0 447.583 3.684 20 30 IHEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164632514 719106224 /nfs/dbraw/zinc/10/62/24/719106224.db2.gz ZQELTLFDZZNKHE-NJYVYQBISA-N 1 0 433.556 3.526 20 30 IHEDRO Cc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1CC#N ZINC001164684376 719678741 /nfs/dbraw/zinc/67/87/41/719678741.db2.gz TYFLEIUNRUFVOD-JOCHJYFZSA-N 1 0 445.611 3.550 20 30 IHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc([C@H](C#N)c3ccc(C)cc3)nn1)C2 ZINC001164812762 720076339 /nfs/dbraw/zinc/07/63/39/720076339.db2.gz RRVDLKBJNMLWMM-ZEVJAHDQSA-N 1 0 431.584 3.625 20 30 IHEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C3(C#N)CCC3)cn1)CC2 ZINC001164716985 720117875 /nfs/dbraw/zinc/11/78/75/720117875.db2.gz MVRBSVHHQZGHJF-QHCPKHFHSA-N 1 0 431.584 3.929 20 30 IHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(-c3ccc(F)cc3)ccc2C#N)CC1 ZINC001164820596 720295847 /nfs/dbraw/zinc/29/58/47/720295847.db2.gz HTDUQSSYVFHMQL-ZEQRLZLVSA-N 1 0 447.558 3.671 20 30 IHEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1C#N ZINC001164724265 720403396 /nfs/dbraw/zinc/40/33/96/720403396.db2.gz IQNSDJWLRZCKFJ-SFTDATJTSA-N 1 0 428.565 3.985 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(C#N)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833579 720540463 /nfs/dbraw/zinc/54/04/63/720540463.db2.gz ALORKMUOKUOFPI-AYOQOUSVSA-N 1 0 434.922 3.726 20 30 IHEDRO CSc1nc(Cl)c(C#N)c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837075 720654097 /nfs/dbraw/zinc/65/40/97/720654097.db2.gz BFJWVXMCBPNDTB-QGZVFWFLSA-N 1 0 444.004 3.983 20 30 IHEDRO N#Cc1cc(Cl)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757502 720884972 /nfs/dbraw/zinc/88/49/72/720884972.db2.gz VITAQDKUXGGUQL-YKSBVNFPSA-N 1 0 437.975 3.757 20 30 IHEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)CC[C@@H]2C1 ZINC001164860772 720893678 /nfs/dbraw/zinc/89/36/78/720893678.db2.gz UQFRVBWQBCLZOD-RDTXWAMCSA-N 1 0 435.355 3.587 20 30 IHEDRO COCC[N@@H+]1CCO[C@H]2CN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)CC[C@H]2C1 ZINC001164860760 720893951 /nfs/dbraw/zinc/89/39/51/720893951.db2.gz UQFRVBWQBCLZOD-KSSFIOAISA-N 1 0 435.355 3.587 20 30 IHEDRO N#Cc1cc2c(nc1N1CC[C@@]3(C1)C[N@H+](CC1CC1)C[C@H]3COCc1cccnc1)CCC2 ZINC001164747134 720910236 /nfs/dbraw/zinc/91/02/36/720910236.db2.gz BXZZTAICJVMTFS-IGKIAQTJSA-N 1 0 443.595 3.592 20 30 IHEDRO Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1CC#N ZINC001164750701 720917512 /nfs/dbraw/zinc/91/75/12/720917512.db2.gz KCFSTPPYAICXAI-AOYPEHQESA-N 1 0 431.584 3.606 20 30 IHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870901 721051279 /nfs/dbraw/zinc/05/12/79/721051279.db2.gz XERHDVDENSGJDK-XZOQPEGZSA-N 1 0 429.499 3.634 20 30 IHEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc5ccccc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164897545 721431410 /nfs/dbraw/zinc/43/14/10/721431410.db2.gz UECBQILADNJCTB-HOYKHHGWSA-N 1 0 439.991 3.525 20 30 IHEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc5ccccc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164897554 721431927 /nfs/dbraw/zinc/43/19/27/721431927.db2.gz UECBQILADNJCTB-UUOWRZLLSA-N 1 0 439.991 3.525 20 30 IHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C(C)C)ccc1C#N)CC2 ZINC001164788706 721452016 /nfs/dbraw/zinc/45/20/16/721452016.db2.gz STKYEOQOOKJWDY-QFIPXVFZSA-N 1 0 426.605 3.811 20 30 IHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C4(C#N)CCOCC4)cn3)C[C@@H]21 ZINC001165024583 721821603 /nfs/dbraw/zinc/82/16/03/721821603.db2.gz KNIBGTFZFXEKBM-FGCOXFRFSA-N 1 0 431.584 3.785 20 30 IHEDRO Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001165034871 721895807 /nfs/dbraw/zinc/89/58/07/721895807.db2.gz HRCRJCREZPXFFO-PGRDOPGGSA-N 1 0 449.580 3.507 20 30 IHEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975224 722143119 /nfs/dbraw/zinc/14/31/19/722143119.db2.gz GBTMUNKXEIPCHE-IRLDBZIGSA-N 1 0 431.565 3.804 20 30 IHEDRO N#CC(CC[NH+]1CCC(C(N)=O)(N2CCCCC2)CC1)(c1ccccc1)c1ccccc1 ZINC000000538198 557650740 /nfs/dbraw/zinc/65/07/40/557650740.db2.gz IHEHEFLXQFOQJO-UHFFFAOYSA-N 1 0 430.596 3.692 20 30 world IHEDRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001164663134 719359310 /nfs/dbraw/zinc/35/93/10/719359310.db2.gz CJKSIJSKKWDLEF-HSZRJFAPSA-N 1 0 425.964 3.856 20 30 IHEDRO Cc1cc(C#N)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1C ZINC001164680008 719664610 /nfs/dbraw/zinc/66/46/10/719664610.db2.gz BZGKFUZVZKUNGP-NRFANRHFSA-N 1 0 445.611 3.664 20 30 IHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3)nc(SC)c1C#N)C2 ZINC001164812479 720134892 /nfs/dbraw/zinc/13/48/92/720134892.db2.gz ONTJQFCLAJTTRD-NBGIEHNGSA-N 1 0 449.624 3.922 20 30 IHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(-c3ccc(F)cc3)ccc2C#N)CC1 ZINC001164820591 720295943 /nfs/dbraw/zinc/29/59/43/720295943.db2.gz HTDUQSSYVFHMQL-DNQXCXABSA-N 1 0 447.558 3.671 20 30 IHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(-c3cccs3)ccc2C#N)CC1 ZINC001164822385 720340852 /nfs/dbraw/zinc/34/08/52/720340852.db2.gz DLJWIJFANPSFFW-NHCUHLMSSA-N 1 0 435.597 3.593 20 30 IHEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1C#N ZINC001164724262 720403347 /nfs/dbraw/zinc/40/33/47/720403347.db2.gz IQNSDJWLRZCKFJ-LEWJYISDSA-N 1 0 428.565 3.985 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc(Cl)ccc3C#N)CC[C@@H]21 ZINC001164836720 720551023 /nfs/dbraw/zinc/55/10/23/720551023.db2.gz KSTIFUSACWFEDK-BZSNNMDCSA-N 1 0 434.922 3.726 20 30 IHEDRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C#C[Si](C)(C)C)c1 ZINC001164750264 720841303 /nfs/dbraw/zinc/84/13/03/720841303.db2.gz WXCHJUZCQAIBAJ-WXFUMESZSA-N 1 0 448.691 3.590 20 30 IHEDRO CC1(C)CCCc2cc(C#N)c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164744668 720859822 /nfs/dbraw/zinc/85/98/22/720859822.db2.gz CEPTZVFBBFAJEL-RJGXRXQPSA-N 1 0 445.615 3.538 20 30 IHEDRO N#Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164753275 720873570 /nfs/dbraw/zinc/87/35/70/720873570.db2.gz OPVGWKRSZNWISO-ZJSXRUAMSA-N 1 0 437.975 3.757 20 30 IHEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(C#N)c5cc(Cl)ccc5n4)C3)O2)CC1 ZINC001164897929 721445457 /nfs/dbraw/zinc/44/54/57/721445457.db2.gz VDXFBSMPEGITCG-RDPSFJRHSA-N 1 0 439.991 3.525 20 30 IHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(CC#N)cc1Cl)CC2 ZINC001164791316 721470148 /nfs/dbraw/zinc/47/01/48/721470148.db2.gz WZFRGGJDGDQKKK-HXUWFJFHSA-N 1 0 432.996 3.535 20 30 IHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3c(c1C#N)CCCC3)CC2 ZINC001164788762 721473528 /nfs/dbraw/zinc/47/35/28/721473528.db2.gz JUCKZDSVXMAJBR-QFIPXVFZSA-N 1 0 438.616 3.566 20 30 IHEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2c(C#N)c(Cl)nc3cccc(Cl)c32)CC1 ZINC001165013281 721750603 /nfs/dbraw/zinc/75/06/03/721750603.db2.gz WOEHHSQGYOUTEC-UHFFFAOYSA-N 1 0 446.382 3.936 20 30 IHEDRO CSc1nc(Cl)c(C#N)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165017793 721798769 /nfs/dbraw/zinc/79/87/69/721798769.db2.gz ARFQIXWLULLEAI-BMGDILEWSA-N 1 0 428.993 3.855 20 30 IHEDRO CSc1nc(Cl)c(C#N)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165017797 721798846 /nfs/dbraw/zinc/79/88/46/721798846.db2.gz ARFQIXWLULLEAI-QGTPRVQTSA-N 1 0 428.993 3.855 20 30 IHEDRO CSc1nc(Cl)c(C=NO)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165026300 721806643 /nfs/dbraw/zinc/80/66/43/721806643.db2.gz QLWGSWXANMYKHW-BMGDILEWSA-N 1 0 447.008 3.792 20 30 IHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979232 722102558 /nfs/dbraw/zinc/10/25/58/722102558.db2.gz HNGLIEIOPUBXST-RDGATRHJSA-N 1 0 443.526 3.882 20 30 IHEDRO CN(CCC#N)c1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC001461630138 1126195393 /nfs/dbraw/zinc/19/53/93/1126195393.db2.gz HWZSTSCCJFYLKE-QFIPXVFZSA-N 1 0 428.374 3.809 20 30 IHEDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1 ZINC001164615337 719020335 /nfs/dbraw/zinc/02/03/35/719020335.db2.gz ILHCJTSCRGJXNY-MNEFBYGVSA-N 1 0 446.885 3.548 20 30 IHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)C2 ZINC001164813061 720172590 /nfs/dbraw/zinc/17/25/90/720172590.db2.gz CMACLGVJXHXUDK-IGKIAQTJSA-N 1 0 446.595 3.911 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc(C#N)c(Cl)n3)CC[C@@H]21 ZINC001164841249 720511247 /nfs/dbraw/zinc/51/12/47/720511247.db2.gz XYNKNAXQUYRBSG-SQNIBIBYSA-N 1 0 434.922 3.726 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc(Cl)nc3C#N)CC[C@@H]21 ZINC001164834169 720527023 /nfs/dbraw/zinc/52/70/23/720527023.db2.gz CLUPLCOVPUNHGI-BXWFABGCSA-N 1 0 434.922 3.726 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3C#N)CC[C@@H]21 ZINC001164834155 720551315 /nfs/dbraw/zinc/55/13/15/720551315.db2.gz CKSNSXVFMRESIY-AYBZRNKSSA-N 1 0 434.922 3.726 20 30 IHEDRO CC1(C)CCCc2cc(C#N)c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164744666 720859990 /nfs/dbraw/zinc/85/99/90/720859990.db2.gz CEPTZVFBBFAJEL-DNVJHFABSA-N 1 0 445.615 3.538 20 30 IHEDRO N#Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164753272 720873667 /nfs/dbraw/zinc/87/36/67/720873667.db2.gz OPVGWKRSZNWISO-XUZZJYLKSA-N 1 0 437.975 3.757 20 30 IHEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccc(F)cc5)ccc4C#N)C3)O2)CC1 ZINC001164888632 721386008 /nfs/dbraw/zinc/38/60/08/721386008.db2.gz KPDSZWUWLJZQDQ-JYFHCDHNSA-N 1 0 449.574 3.525 20 30 IHEDRO C[N@H+](Cc1ccc(N2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)nc1)C1CC1 ZINC001165005619 722259111 /nfs/dbraw/zinc/25/91/11/722259111.db2.gz YNGKYPXMQSMWRR-SANMLTNESA-N 1 0 431.584 3.671 20 30 IHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164415786 718892620 /nfs/dbraw/zinc/89/26/20/718892620.db2.gz AXNBUXPWXNQNNM-MRXNPFEDSA-N 1 0 426.895 3.687 20 30 IHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164628390 719098813 /nfs/dbraw/zinc/09/88/13/719098813.db2.gz MOPGOHFOOQAZKV-TXTKFYIRSA-N 1 0 441.535 3.511 20 30 IHEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(F)cc1C#N)CC2 ZINC001164711550 720095814 /nfs/dbraw/zinc/09/58/14/720095814.db2.gz QRBTYOVOHARQLO-SFHVURJKSA-N 1 0 429.927 3.648 20 30 IHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(-c3cccs3)ccc2C#N)CC1 ZINC001164822376 720340551 /nfs/dbraw/zinc/34/05/51/720340551.db2.gz DLJWIJFANPSFFW-LEWJYISDSA-N 1 0 435.597 3.593 20 30 IHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(-c3cccs3)ccc2C#N)CC1 ZINC001164822388 720340765 /nfs/dbraw/zinc/34/07/65/720340765.db2.gz DLJWIJFANPSFFW-RTWAWAEBSA-N 1 0 435.597 3.593 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C#N)c3)CC[C@@H]21 ZINC001164841378 720548767 /nfs/dbraw/zinc/54/87/67/720548767.db2.gz UKTJGBBLJQBTAS-NEWSRXKRSA-N 1 0 434.922 3.726 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)ncc3C#N)CC[C@@H]21 ZINC001164834158 720551327 /nfs/dbraw/zinc/55/13/27/720551327.db2.gz CKSNSXVFMRESIY-IEZWGBDMSA-N 1 0 434.922 3.726 20 30 IHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(C#N)ccc3NC(=O)C(C)(C)C)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842260 720578031 /nfs/dbraw/zinc/57/80/31/720578031.db2.gz VDUQZRHNOJGUKX-RCZSKKKRSA-N 1 0 449.603 3.512 20 30 IHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4ccncc4)ccc3C#N)CC[C@@H]21 ZINC001164836628 720595461 /nfs/dbraw/zinc/59/54/61/720595461.db2.gz GAFJTASXTOOJIH-FIXSFTCYSA-N 1 0 427.556 3.590 20 30 IHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)c(Cl)c(C)c1C#N)CC2 ZINC001164783273 721451325 /nfs/dbraw/zinc/45/13/25/721451325.db2.gz BAEMJNVRBDRRQQ-FQEVSTJZSA-N 1 0 447.023 3.957 20 30 IHEDRO CCOC(=O)c1cc(C)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1C#N ZINC001164792479 721492832 /nfs/dbraw/zinc/49/28/32/721492832.db2.gz PGZHBZQBDKJQTK-UHFFFAOYSA-N 1 0 433.556 3.714 20 30 IHEDRO CSc1nc(Cl)c(C#N)c(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164937617 721920454 /nfs/dbraw/zinc/92/04/54/721920454.db2.gz FJJOGMXPSWETMP-UHFFFAOYSA-N 1 0 444.004 3.903 20 30 IHEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955236 722020199 /nfs/dbraw/zinc/02/01/99/722020199.db2.gz BDRQFOOAPJFKHZ-UHFFFAOYSA-N 1 0 432.572 3.825 20 30 IHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164964482 722056569 /nfs/dbraw/zinc/05/65/69/722056569.db2.gz VCZJFJNFBNVPKL-UHFFFAOYSA-N 1 0 447.917 3.666 20 30 IHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979235 722102461 /nfs/dbraw/zinc/10/24/61/722102461.db2.gz HNGLIEIOPUBXST-WIOPSUGQSA-N 1 0 443.526 3.882 20 30 IHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c12 ZINC001165004020 722258207 /nfs/dbraw/zinc/25/82/07/722258207.db2.gz LOHICXRZYMCELP-UHFFFAOYSA-N 1 0 438.963 3.753 20 30 IHEDRO