smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC1(c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc2)CCOCC1 ZINC001164696945 719896863 /nfs/dbraw/zinc/89/68/63/719896863.db2.gz IOHBZTBSAGZIDK-UHFFFAOYSA-N 1 1 438.597 3.586 20 30 IHEDMO 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 720576914 /nfs/dbraw/zinc/57/69/14/720576914.db2.gz VDUQZRHNOJGUKX-KAGYGMCKSA-N 1 1 449.603 3.512 20 30 IHEDMO N#Cc1ccc(-c2cccs2)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745173 720848448 /nfs/dbraw/zinc/84/84/48/720848448.db2.gz MFTOHQNQDKBRFN-TUNNFDKTSA-N 1 1 445.596 3.653 20 30 IHEDMO N#Cc1cc(Cl)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757499 720884850 /nfs/dbraw/zinc/88/48/50/720884850.db2.gz VITAQDKUXGGUQL-GBXCKJPGSA-N 1 1 437.975 3.757 20 30 IHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)[C@@H]2C ZINC001164861946 720976602 /nfs/dbraw/zinc/97/66/02/720976602.db2.gz RNGOBAZRYONMEC-XLIONFOSSA-N 1 1 433.535 3.889 20 30 IHEDMO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869572 721191110 /nfs/dbraw/zinc/19/11/10/721191110.db2.gz QOKCLEZUZWGPAR-ROUUACIJSA-N 1 1 437.906 3.774 20 30 IHEDMO Cc1ccc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c(C#N)c(Cl)c2c1 ZINC001164869669 721198247 /nfs/dbraw/zinc/19/82/47/721198247.db2.gz RMDSYSCBGCPYCC-OALUTQOASA-N 1 1 433.943 3.943 20 30 IHEDMO N#Cc1c(Cl)c2ccccc2nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985587 722138241 /nfs/dbraw/zinc/13/82/41/722138241.db2.gz ZZSLXQXRWFMNRW-XMSQKQJNSA-N 1 1 433.943 3.882 20 30 IHEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3)nc(SC)c1C#N)C2 ZINC001164812477 720135576 /nfs/dbraw/zinc/13/55/76/720135576.db2.gz ONTJQFCLAJTTRD-CJFMBICVSA-N 1 1 449.624 3.922 20 30 IHEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(CC#N)cc1Cl)CC2 ZINC001164714642 720149997 /nfs/dbraw/zinc/14/99/97/720149997.db2.gz XURQQSJTVXVSOD-HXUWFJFHSA-N 1 1 425.964 3.704 20 30 IHEDMO CCCc1cc(C#N)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164748957 720834348 /nfs/dbraw/zinc/83/43/48/720834348.db2.gz VFFSIDYDDXLUNE-NJDAHSKKSA-N 1 1 439.995 3.530 20 30 IHEDMO N#Cc1c[nH]c2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc12 ZINC001164753825 720894391 /nfs/dbraw/zinc/89/43/91/720894391.db2.gz HFANRBLYWKCMMQ-ATIYNZHBSA-N 1 1 442.567 3.585 20 30 IHEDMO Cc1ccc(CC#N)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754622 720916136 /nfs/dbraw/zinc/91/61/36/720916136.db2.gz WKBSVRHLOWHBCE-AOYPEHQESA-N 1 1 431.584 3.606 20 30 IHEDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccc(F)cc5)ccc4C#N)C3)O2)CC1 ZINC001164888633 721386346 /nfs/dbraw/zinc/38/63/46/721386346.db2.gz KPDSZWUWLJZQDQ-OZXSUGGESA-N 1 1 449.574 3.525 20 30 IHEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)c(C#N)cc1Cl)CC2 ZINC001164790664 721473534 /nfs/dbraw/zinc/47/35/34/721473534.db2.gz UFAOYGUZPHILHN-HXUWFJFHSA-N 1 1 432.996 3.649 20 30 IHEDMO Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164985461 722134268 /nfs/dbraw/zinc/13/42/68/722134268.db2.gz ZOOJZLYITSAJPC-ZEQRLZLVSA-N 1 1 434.660 3.741 20 30 IHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C#N)CC[C@@H]21 ZINC001164843144 720577200 /nfs/dbraw/zinc/57/72/00/720577200.db2.gz WXWSSGUJJCWACX-AOIWGVFYSA-N 1 1 434.922 3.726 20 30 IHEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc(C)c1C#N)CC2 ZINC001164789461 721451529 /nfs/dbraw/zinc/45/15/29/721451529.db2.gz WNNBQAKKBWRWOB-IBGZPJMESA-N 1 1 432.996 3.649 20 30 IHEDMO CSc1nc(Cl)c(C=NO)c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026306 721806471 /nfs/dbraw/zinc/80/64/71/721806471.db2.gz QLWGSWXANMYKHW-WBAXXEDZSA-N 1 1 447.008 3.792 20 30 IHEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164951678 722015082 /nfs/dbraw/zinc/01/50/82/722015082.db2.gz CBIRUXUJEGORCB-UHFFFAOYSA-N 1 1 439.947 3.671 20 30 IHEDMO N#Cc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(Cl)cc1Cl ZINC001164963293 722061432 /nfs/dbraw/zinc/06/14/32/722061432.db2.gz VRJWHNOKMHEIPL-UHFFFAOYSA-N 1 1 432.355 3.774 20 30 IHEDMO CCOC(=O)c1cc(C)nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1C#N ZINC001164693115 719806678 /nfs/dbraw/zinc/80/66/78/719806678.db2.gz QKNYANOWJATIEU-UHFFFAOYSA-N 1 1 439.585 3.838 20 30 IHEDMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)ncc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834156 720551062 /nfs/dbraw/zinc/55/10/62/720551062.db2.gz CKSNSXVFMRESIY-HHXXYDBFSA-N 1 1 434.922 3.726 20 30 IHEDMO COCC[N@H+]1CCO[C@@H]2CN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)CC[C@H]2C1 ZINC001164860729 720893767 /nfs/dbraw/zinc/89/37/67/720893767.db2.gz UQFRVBWQBCLZOD-KBXCAEBGSA-N 1 1 435.355 3.587 20 30 IHEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3c(cc1C#N)CCCC3)CC2 ZINC001164791793 721466005 /nfs/dbraw/zinc/46/60/05/721466005.db2.gz ZIPKGWLWKCRKFD-HSZRJFAPSA-N 1 1 438.616 3.566 20 30 IHEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(C3(C#N)CCOCC3)cn1)CC2 ZINC001164796815 721499378 /nfs/dbraw/zinc/49/93/78/721499378.db2.gz ZBKRQJYJDALNRK-UHFFFAOYSA-N 1 1 431.584 3.929 20 30 IHEDMO N#Cc1cc(C#N)c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164908445 721702310 /nfs/dbraw/zinc/70/23/10/721702310.db2.gz ZGQGYSBMYHMOMN-FQEVSTJZSA-N 1 1 428.874 3.611 20 30 IHEDMO CSc1nc(Cl)c(C=NO)c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165026304 721806592 /nfs/dbraw/zinc/80/65/92/721806592.db2.gz QLWGSWXANMYKHW-QGTPRVQTSA-N 1 1 447.008 3.792 20 30 IHEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164959444 722053353 /nfs/dbraw/zinc/05/33/53/722053353.db2.gz JHJDRGKCYMVXNO-UHFFFAOYSA-N 1 1 448.958 3.669 20 30 IHEDMO N#Cc1cc(Cl)c(Cl)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962273 722056164 /nfs/dbraw/zinc/05/61/64/722056164.db2.gz CFDUGNCRFXPAIP-UHFFFAOYSA-N 1 1 432.355 3.774 20 30 IHEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962300 722058219 /nfs/dbraw/zinc/05/82/19/722058219.db2.gz QOYHEQMCSSPIML-UHFFFAOYSA-N 1 1 447.917 3.666 20 30 IHEDMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001164663135 719359223 /nfs/dbraw/zinc/35/92/23/719359223.db2.gz CJKSIJSKKWDLEF-QHCPKHFHSA-N 1 1 425.964 3.856 20 30 IHEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)nc(SC)c1C#N)C2 ZINC001164812480 720135405 /nfs/dbraw/zinc/13/54/05/720135405.db2.gz ONTJQFCLAJTTRD-NLFFAJNJSA-N 1 1 449.624 3.922 20 30 IHEDMO 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 720511107 /nfs/dbraw/zinc/51/11/07/720511107.db2.gz XYNKNAXQUYRBSG-OKZBNKHCSA-N 1 1 434.922 3.726 20 30 IHEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836254 720640133 /nfs/dbraw/zinc/64/01/33/720640133.db2.gz FOAVWDSIOSMKOI-GREBRCKQSA-N 1 1 445.527 3.589 20 30 IHEDMO N#Cc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164750854 720867416 /nfs/dbraw/zinc/86/74/16/720867416.db2.gz KBTBCGCQPZYJQD-QPPBQGQZSA-N 1 1 437.975 3.757 20 30 IHEDMO Cc1ccc(CC#N)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754621 720915744 /nfs/dbraw/zinc/91/57/44/720915744.db2.gz WKBSVRHLOWHBCE-AHWVRZQESA-N 1 1 431.584 3.606 20 30 IHEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164868836 721197456 /nfs/dbraw/zinc/19/74/56/721197456.db2.gz OCZVNHRCRFCOHL-OALUTQOASA-N 1 1 433.943 3.943 20 30 IHEDMO Cc1c(Cl)c(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1C#N ZINC001164809637 721538066 /nfs/dbraw/zinc/53/80/66/721538066.db2.gz VVAGDHGWGJKBMB-AOIWGVFYSA-N 1 1 432.355 3.832 20 30 IHEDMO Cc1c(Cl)c(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1C#N ZINC001164809637 721538067 /nfs/dbraw/zinc/53/80/67/721538067.db2.gz VVAGDHGWGJKBMB-AOIWGVFYSA-N 1 1 432.355 3.832 20 30 IHEDMO CCOC(=O)c1cc(C)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N ZINC001165027563 721806956 /nfs/dbraw/zinc/80/69/56/721806956.db2.gz WHCFHWSIKKTLAA-OFAXGOBFSA-N 1 1 433.556 3.570 20 30 IHEDMO CC(C)(C)C(=O)Nc1ccnc(N(CCC#N)C2CCCC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165016300 721835666 /nfs/dbraw/zinc/83/56/66/721835666.db2.gz DTPBZTHCCKRQLM-SFHVURJKSA-N 1 1 427.593 3.543 20 30 IHEDMO CC(C)(C)C(=O)Nc1ccnc(N(CCC#N)C2CCCC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165016300 721835667 /nfs/dbraw/zinc/83/56/67/721835667.db2.gz DTPBZTHCCKRQLM-SFHVURJKSA-N 1 1 427.593 3.543 20 30 IHEDMO Cc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(C#N)c(C)c1Cl ZINC001164958929 722052154 /nfs/dbraw/zinc/05/21/54/722052154.db2.gz HSUDHGHYIJDJGN-UHFFFAOYSA-N 1 1 425.964 3.738 20 30 IHEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164958894 722053192 /nfs/dbraw/zinc/05/31/92/722053192.db2.gz HLWJOZULLSPRDU-UHFFFAOYSA-N 1 1 447.917 3.666 20 30 IHEDMO Cc1c(Cl)c(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164978415 722106247 /nfs/dbraw/zinc/10/62/47/722106247.db2.gz GUKLDUBOBRJJAL-WMZOPIPTSA-N 1 1 432.355 3.691 20 30 IHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc([C@@H](C#N)c3ccc(C)cc3)nn1)C2 ZINC001164812757 720076629 /nfs/dbraw/zinc/07/66/29/720076629.db2.gz RRVDLKBJNMLWMM-JCYRPKCISA-N 1 1 431.584 3.625 20 30 IHEDMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)ccc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836726 720550694 /nfs/dbraw/zinc/55/06/94/720550694.db2.gz KSTIFUSACWFEDK-OKZBNKHCSA-N 1 1 434.922 3.726 20 30 IHEDMO CCCc1cc(C#N)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164748963 720834135 /nfs/dbraw/zinc/83/41/35/720834135.db2.gz VFFSIDYDDXLUNE-PWRODBHTSA-N 1 1 439.995 3.530 20 30 IHEDMO N#Cc1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751700 720900915 /nfs/dbraw/zinc/90/09/15/720900915.db2.gz DCJYIDVWJSPZND-QPPBQGQZSA-N 1 1 437.975 3.757 20 30 IHEDMO Cc1ccc(CC#N)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754624 720917160 /nfs/dbraw/zinc/91/71/60/720917160.db2.gz WKBSVRHLOWHBCE-RSXGOPAZSA-N 1 1 431.584 3.606 20 30 IHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(CC#N)cc3Cl)C2)C1 ZINC001164783790 721372579 /nfs/dbraw/zinc/37/25/79/721372579.db2.gz PLKIUPQFVCWVIS-JOCHJYFZSA-N 1 1 429.952 3.525 20 30 IHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc(CC#N)cc3Cl)C2)C1 ZINC001164783790 721372586 /nfs/dbraw/zinc/37/25/86/721372586.db2.gz PLKIUPQFVCWVIS-JOCHJYFZSA-N 1 1 429.952 3.525 20 30 IHEDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccc(F)cc5)ccc4C#N)C3)O2)CC1 ZINC001164888634 721386416 /nfs/dbraw/zinc/38/64/16/721386416.db2.gz KPDSZWUWLJZQDQ-ZEQKJWHPSA-N 1 1 449.574 3.525 20 30 IHEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3ccc(C#N)cc31)CC2 ZINC001164782678 721457706 /nfs/dbraw/zinc/45/77/06/721457706.db2.gz ATSWSUFQIQRUOT-HSZRJFAPSA-N 1 1 434.584 3.840 20 30 IHEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C#N)c3ccccc3n1)CC2 ZINC001164787382 721465791 /nfs/dbraw/zinc/46/57/91/721465791.db2.gz FFWSIJDRDYUOPY-JOCHJYFZSA-N 1 1 434.584 3.840 20 30 IHEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)cc1 ZINC001164896904 721514424 /nfs/dbraw/zinc/51/44/24/721514424.db2.gz CBDRFYJYRSJVQO-QTJGBDASSA-N 1 1 443.526 3.922 20 30 IHEDMO CSc1nc(Cl)c(C#N)c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165017796 721798583 /nfs/dbraw/zinc/79/85/83/721798583.db2.gz ARFQIXWLULLEAI-JCGIZDLHSA-N 1 1 428.993 3.855 20 30 IHEDMO CSc1nc(Cl)c(C=NO)c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026302 721806465 /nfs/dbraw/zinc/80/64/65/721806465.db2.gz QLWGSWXANMYKHW-JCGIZDLHSA-N 1 1 447.008 3.792 20 30 IHEDMO C=CCN1C(=O)CC[C@]12CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)[C@H]2CC ZINC001164699046 719821847 /nfs/dbraw/zinc/82/18/47/719821847.db2.gz GGLFDBSJJWHBOJ-IGKIAQTJSA-N 1 1 445.611 3.961 20 30 IHEDMO C=CCN1C(=O)CC[C@]12CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)[C@H]2CC ZINC001164699046 719821848 /nfs/dbraw/zinc/82/18/48/719821848.db2.gz GGLFDBSJJWHBOJ-IGKIAQTJSA-N 1 1 445.611 3.961 20 30 IHEDMO 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 720540965 /nfs/dbraw/zinc/54/09/65/720540965.db2.gz ALORKMUOKUOFPI-MNEFBYGVSA-N 1 1 434.922 3.726 20 30 IHEDMO N#Cc1cc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2[nH]1 ZINC001164746526 720906856 /nfs/dbraw/zinc/90/68/56/720906856.db2.gz BICHDGCNDCRGDG-RLWLMLJZSA-N 1 1 442.567 3.585 20 30 IHEDMO N#Cc1cc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2[nH]1 ZINC001164746524 720907218 /nfs/dbraw/zinc/90/72/18/720907218.db2.gz BICHDGCNDCRGDG-LVXARBLLSA-N 1 1 442.567 3.585 20 30 IHEDMO N#Cc1cc2c(nc1N1CC[C@@]3(C1)C[N@@H+](CC1CC1)C[C@@H]3COCc1cccnc1)CCC2 ZINC001164747158 720910868 /nfs/dbraw/zinc/91/08/68/720910868.db2.gz BXZZTAICJVMTFS-SQHAQQRYSA-N 1 1 443.595 3.592 20 30 IHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)[C@@H]2C ZINC001164861947 720977511 /nfs/dbraw/zinc/97/75/11/720977511.db2.gz RNGOBAZRYONMEC-YLJYHZDGSA-N 1 1 433.535 3.889 20 30 IHEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164868838 721196657 /nfs/dbraw/zinc/19/66/57/721196657.db2.gz OCZVNHRCRFCOHL-RBUKOAKNSA-N 1 1 433.943 3.943 20 30 IHEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccc(F)cc5)ccc4C#N)C3)O2)CC1 ZINC001164888630 721386124 /nfs/dbraw/zinc/38/61/24/721386124.db2.gz KPDSZWUWLJZQDQ-BVAGGSTKSA-N 1 1 449.574 3.525 20 30 IHEDMO CSc1nc(-c2ccccc2)nc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1C#N ZINC001164784071 721417245 /nfs/dbraw/zinc/41/72/45/721417245.db2.gz KFXBXJNMVZIOJU-IAGOWNOFSA-N 1 1 434.594 3.762 20 30 IHEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)CCCC3(C)C)[C@@H]2CCCO[C@@H]12 ZINC001164808876 721590296 /nfs/dbraw/zinc/59/02/96/721590296.db2.gz RAHZQZZYKOCSQV-DNVJHFABSA-N 1 1 431.584 3.830 20 30 IHEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)CCCC3(C)C)[C@@H]2CCCO[C@@H]12 ZINC001164808876 721590298 /nfs/dbraw/zinc/59/02/98/721590298.db2.gz RAHZQZZYKOCSQV-DNVJHFABSA-N 1 1 431.584 3.830 20 30 IHEDMO CCOC(=O)c1cc(C)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N ZINC001165027565 721806809 /nfs/dbraw/zinc/80/68/09/721806809.db2.gz WHCFHWSIKKTLAA-TZYHBYERSA-N 1 1 433.556 3.570 20 30 IHEDMO CC1(C)CCCc2cc(C#N)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164975290 722156318 /nfs/dbraw/zinc/15/63/18/722156318.db2.gz RJTMPKWBVVRGNH-FYYLOGMGSA-N 1 1 431.584 3.689 20 30 IHEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628394 719098489 /nfs/dbraw/zinc/09/84/89/719098489.db2.gz MOPGOHFOOQAZKV-VIZSFHNOSA-N 1 1 441.535 3.511 20 30 IHEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3c(cc1C#N)CCCC3)CC2 ZINC001164713841 720141885 /nfs/dbraw/zinc/14/18/85/720141885.db2.gz TVGQWSFKXIHRBG-HSZRJFAPSA-N 1 1 431.584 3.735 20 30 IHEDMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)ncc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834160 720551357 /nfs/dbraw/zinc/55/13/57/720551357.db2.gz CKSNSXVFMRESIY-VDZJLULYSA-N 1 1 434.922 3.726 20 30 IHEDMO CC1(C)CCCc2cc(C#N)c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164744670 720859625 /nfs/dbraw/zinc/85/96/25/720859625.db2.gz CEPTZVFBBFAJEL-XPWALMASSA-N 1 1 445.615 3.538 20 30 IHEDMO Cc1ccc(CC#N)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754623 720917273 /nfs/dbraw/zinc/91/72/73/720917273.db2.gz WKBSVRHLOWHBCE-AZGAKELHSA-N 1 1 431.584 3.606 20 30 IHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)c(Cl)c(C)c3C#N)C2)C1 ZINC001164776519 721334712 /nfs/dbraw/zinc/33/47/12/721334712.db2.gz FYUUTQDGJQHUES-QHCPKHFHSA-N 1 1 443.979 3.947 20 30 IHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)c(Cl)c(C)c3C#N)C2)C1 ZINC001164776519 721334716 /nfs/dbraw/zinc/33/47/16/721334716.db2.gz FYUUTQDGJQHUES-QHCPKHFHSA-N 1 1 443.979 3.947 20 30 IHEDMO N#Cc1cc(-c2ccnc(Cl)n2)c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)cc1F ZINC001164788973 721412137 /nfs/dbraw/zinc/41/21/37/721412137.db2.gz TZOQRLWAAXIRCS-GASCZTMLSA-N 1 1 440.935 3.832 20 30 IHEDMO N#Cc1cc(-c2ccnc(Cl)n2)c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)cc1F ZINC001164788973 721412141 /nfs/dbraw/zinc/41/21/41/721412141.db2.gz TZOQRLWAAXIRCS-GASCZTMLSA-N 1 1 440.935 3.832 20 30 IHEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C(C)C)ccc1C#N)CC2 ZINC001164788703 721452110 /nfs/dbraw/zinc/45/21/10/721452110.db2.gz STKYEOQOOKJWDY-JOCHJYFZSA-N 1 1 426.605 3.811 20 30 IHEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccs3)ccc2C#N)[C@H]2CCCO[C@@H]12 ZINC001164809598 721580076 /nfs/dbraw/zinc/58/00/76/721580076.db2.gz UCYRYYAIGGOCKX-QZNHQXDQSA-N 1 1 431.565 3.945 20 30 IHEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccs3)ccc2C#N)[C@H]2CCCO[C@@H]12 ZINC001164809598 721580079 /nfs/dbraw/zinc/58/00/79/721580079.db2.gz UCYRYYAIGGOCKX-QZNHQXDQSA-N 1 1 431.565 3.945 20 30 IHEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)CCCC3(C)C)[C@@H]2CCCO[C@H]12 ZINC001164808879 721590438 /nfs/dbraw/zinc/59/04/38/721590438.db2.gz RAHZQZZYKOCSQV-ZLNRFVROSA-N 1 1 431.584 3.830 20 30 IHEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)CCCC3(C)C)[C@@H]2CCCO[C@H]12 ZINC001164808879 721590439 /nfs/dbraw/zinc/59/04/39/721590439.db2.gz RAHZQZZYKOCSQV-ZLNRFVROSA-N 1 1 431.584 3.830 20 30 IHEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)CCCC3(C)C)[C@H]2CCCO[C@H]12 ZINC001164808880 721590462 /nfs/dbraw/zinc/59/04/62/721590462.db2.gz RAHZQZZYKOCSQV-ZRBLBEILSA-N 1 1 431.584 3.830 20 30 IHEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)CCCC3(C)C)[C@H]2CCCO[C@H]12 ZINC001164808880 721590464 /nfs/dbraw/zinc/59/04/64/721590464.db2.gz RAHZQZZYKOCSQV-ZRBLBEILSA-N 1 1 431.584 3.830 20 30 IHEDMO Cc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164985459 722134344 /nfs/dbraw/zinc/13/43/44/722134344.db2.gz ZOOJZLYITSAJPC-RPWUZVMVSA-N 1 1 434.660 3.741 20 30 IHEDMO N#Cc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc2ccc([N+](=O)[O-])cc12 ZINC001164707912 719905822 /nfs/dbraw/zinc/90/58/22/719905822.db2.gz ZBQRILPVIKNMHE-UHFFFAOYSA-N 1 1 449.536 3.948 20 30 IHEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(F)cc1C#N)CC2 ZINC001164711540 720095620 /nfs/dbraw/zinc/09/56/20/720095620.db2.gz QRBTYOVOHARQLO-GOSISDBHSA-N 1 1 429.927 3.648 20 30 IHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)nc(SC)c1C#N)C2 ZINC001164812478 720135825 /nfs/dbraw/zinc/13/58/25/720135825.db2.gz ONTJQFCLAJTTRD-CPJSRVTESA-N 1 1 449.624 3.922 20 30 IHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)C2 ZINC001164813062 720172965 /nfs/dbraw/zinc/17/29/65/720172965.db2.gz CMACLGVJXHXUDK-RPLLCQBOSA-N 1 1 446.595 3.911 20 30 IHEDMO CCOC(=O)c1cc(C)nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164842020 720677113 /nfs/dbraw/zinc/67/71/13/720677113.db2.gz KZVBKCFZSOUDNF-OAQYLSRUSA-N 1 1 448.567 3.698 20 30 IHEDMO N#Cc1ccc(-c2cccs2)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745171 720848496 /nfs/dbraw/zinc/84/84/96/720848496.db2.gz MFTOHQNQDKBRFN-KCZVDYSFSA-N 1 1 445.596 3.653 20 30 IHEDMO N#Cc1cc(Cl)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757501 720885111 /nfs/dbraw/zinc/88/51/11/720885111.db2.gz VITAQDKUXGGUQL-RDPSFJRHSA-N 1 1 437.975 3.757 20 30 IHEDMO COCC[N@H+]1CCO[C@H]2CN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)CC[C@@H]2C1 ZINC001164860753 720893688 /nfs/dbraw/zinc/89/36/88/720893688.db2.gz UQFRVBWQBCLZOD-KDOFPFPSSA-N 1 1 435.355 3.587 20 30 IHEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c12 ZINC001164764807 721250296 /nfs/dbraw/zinc/25/02/96/721250296.db2.gz QFUMZCAAVJPFNC-SJORKVTESA-N 1 1 438.938 3.899 20 30 IHEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3ccc(C#N)cc31)CC2 ZINC001164782681 721457769 /nfs/dbraw/zinc/45/77/69/721457769.db2.gz ATSWSUFQIQRUOT-QHCPKHFHSA-N 1 1 434.584 3.840 20 30 IHEDMO CC(C)(C)C(=O)Nc1ccnc(N(CCC#N)C2CCCC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165016292 721835764 /nfs/dbraw/zinc/83/57/64/721835764.db2.gz DTPBZTHCCKRQLM-GOSISDBHSA-N 1 1 427.593 3.543 20 30 IHEDMO CC(C)(C)C(=O)Nc1ccnc(N(CCC#N)C2CCCC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165016292 721835765 /nfs/dbraw/zinc/83/57/65/721835765.db2.gz DTPBZTHCCKRQLM-GOSISDBHSA-N 1 1 427.593 3.543 20 30 IHEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc([C@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164649768 719312691 /nfs/dbraw/zinc/31/26/91/719312691.db2.gz SKARXNYWJKKLST-LJQANCHMSA-N 1 1 433.535 3.673 20 30 IHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)C2 ZINC001164806788 720074142 /nfs/dbraw/zinc/07/41/42/720074142.db2.gz DGQDJRPXUFKGTJ-LIRRHRJNSA-N 1 1 445.341 3.990 20 30 IHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3c(C#N)cnc4cnc(Cl)cc43)CC[C@@H]21 ZINC001164837302 720517326 /nfs/dbraw/zinc/51/73/26/720517326.db2.gz PBKJLWOWVMCZSM-MDKPJZGXSA-N 1 1 435.963 3.729 20 30 IHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc(Cl)ccc3C#N)CC[C@@H]21 ZINC001164836729 720551263 /nfs/dbraw/zinc/55/12/63/720551263.db2.gz KSTIFUSACWFEDK-SQNIBIBYSA-N 1 1 434.922 3.726 20 30 IHEDMO 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 720640613 /nfs/dbraw/zinc/64/06/13/720640613.db2.gz FOAVWDSIOSMKOI-LEDOBFOHSA-N 1 1 445.527 3.589 20 30 IHEDMO Cc1cc(C#N)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C ZINC001164756325 720883948 /nfs/dbraw/zinc/88/39/48/720883948.db2.gz PUOGSBIZBOJHGM-RSXGOPAZSA-N 1 1 431.584 3.720 20 30 IHEDMO N#Cc1c[nH]c2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc12 ZINC001164753831 720894346 /nfs/dbraw/zinc/89/43/46/720894346.db2.gz HFANRBLYWKCMMQ-NVQXNPDNSA-N 1 1 442.567 3.585 20 30 IHEDMO N#Cc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1 ZINC001164781490 721436877 /nfs/dbraw/zinc/43/68/77/721436877.db2.gz DTMXUQRCHYXEHZ-HOTGVXAUSA-N 1 1 438.944 3.819 20 30 IHEDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(C#N)c5cc(Cl)ccc5n4)C3)O2)CC1 ZINC001164897924 721445406 /nfs/dbraw/zinc/44/54/06/721445406.db2.gz VDXFBSMPEGITCG-HYBUGGRVSA-N 1 1 439.991 3.525 20 30 IHEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(c1C#N)CCCC3)CC2 ZINC001164788761 721473397 /nfs/dbraw/zinc/47/33/97/721473397.db2.gz JUCKZDSVXMAJBR-JOCHJYFZSA-N 1 1 438.616 3.566 20 30 IHEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cc1 ZINC001164896902 721514063 /nfs/dbraw/zinc/51/40/63/721514063.db2.gz CBDRFYJYRSJVQO-JRFVFWCSSA-N 1 1 443.526 3.922 20 30 IHEDMO Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(C#C[Si](C)(C)C)c1 ZINC001164807858 721571011 /nfs/dbraw/zinc/57/10/11/721571011.db2.gz TZOZSLPFZJNNST-HJOGWXRNSA-N 1 1 434.660 3.882 20 30 IHEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C4(C#N)CCOCC4)cn3)C[C@@H]21 ZINC001165024585 721821849 /nfs/dbraw/zinc/82/18/49/721821849.db2.gz KNIBGTFZFXEKBM-NKKJXINNSA-N 1 1 431.584 3.785 20 30 IHEDMO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC001165044051 721961877 /nfs/dbraw/zinc/96/18/77/721961877.db2.gz DWISGKUIDMVJPG-UHFFFAOYSA-N 1 1 435.915 3.995 20 30 IHEDMO C[Si](C)(C)C#Cc1ccnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164964388 722061917 /nfs/dbraw/zinc/06/19/17/722061917.db2.gz GCVKAZFUPFQKDJ-UHFFFAOYSA-N 1 1 434.660 3.825 20 30 IHEDMO N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c(Cl)nn2)c1 ZINC001164967397 722078195 /nfs/dbraw/zinc/07/81/95/722078195.db2.gz DPAPIZZGXKOCAD-HDICACEKSA-N 1 1 445.901 3.513 20 30 IHEDMO N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c(Cl)nn2)c1 ZINC001164967397 722078196 /nfs/dbraw/zinc/07/81/96/722078196.db2.gz DPAPIZZGXKOCAD-HDICACEKSA-N 1 1 445.901 3.513 20 30 IHEDMO COc1cc(C(F)(F)N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c(C#N)c(Cl)n1 ZINC001164649010 719312871 /nfs/dbraw/zinc/31/28/71/719312871.db2.gz NNVAFNHFTAOSPG-UHFFFAOYSA-N 1 1 438.910 3.562 20 30 IHEDMO N#CCc1ccc(OCc2ccc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2)cc1 ZINC001164731517 720446012 /nfs/dbraw/zinc/44/60/12/720446012.db2.gz LJYCWFPOEHSHIK-LOSJGSFVSA-N 1 1 425.536 3.975 20 30 IHEDMO CCCc1cc(C#N)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164748961 720834183 /nfs/dbraw/zinc/83/41/83/720834183.db2.gz VFFSIDYDDXLUNE-PCCBWWKXSA-N 1 1 439.995 3.530 20 30 IHEDMO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C#C[Si](C)(C)C)c1 ZINC001164750259 720840870 /nfs/dbraw/zinc/84/08/70/720840870.db2.gz WXCHJUZCQAIBAJ-RBZQAINGSA-N 1 1 448.691 3.590 20 30 IHEDMO N#Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2ccc(Cl)cc12 ZINC001164749405 720856315 /nfs/dbraw/zinc/85/63/15/720856315.db2.gz NEFDGPYLFFJPJK-GREBRCKQSA-N 1 1 447.974 3.731 20 30 IHEDMO N#Cc1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164750866 720867453 /nfs/dbraw/zinc/86/74/53/720867453.db2.gz KBTBCGCQPZYJQD-ZJSXRUAMSA-N 1 1 437.975 3.757 20 30 IHEDMO N#Cc1c[nH]c2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc12 ZINC001164753827 720894617 /nfs/dbraw/zinc/89/46/17/720894617.db2.gz HFANRBLYWKCMMQ-BKMJKUGQSA-N 1 1 442.567 3.585 20 30 IHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)[C@H]2C ZINC001164861945 720977382 /nfs/dbraw/zinc/97/73/82/720977382.db2.gz RNGOBAZRYONMEC-PXNSSMCTSA-N 1 1 433.535 3.889 20 30 IHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)[C@H]2C ZINC001164861944 720978123 /nfs/dbraw/zinc/97/81/23/720978123.db2.gz RNGOBAZRYONMEC-FXAWDEMLSA-N 1 1 433.535 3.889 20 30 IHEDMO Cc1ccc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c(C#N)c(Cl)c2c1 ZINC001164869673 721197642 /nfs/dbraw/zinc/19/76/42/721197642.db2.gz RMDSYSCBGCPYCC-RTBURBONSA-N 1 1 433.943 3.943 20 30 IHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)c(C#N)cc3Cl)C2)C1 ZINC001164781834 721375817 /nfs/dbraw/zinc/37/58/17/721375817.db2.gz KMJRXOLRKNHYFX-QFIPXVFZSA-N 1 1 429.952 3.639 20 30 IHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)c(C#N)cc3Cl)C2)C1 ZINC001164781834 721375820 /nfs/dbraw/zinc/37/58/20/721375820.db2.gz KMJRXOLRKNHYFX-QFIPXVFZSA-N 1 1 429.952 3.639 20 30 IHEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc5ccccc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164897546 721431561 /nfs/dbraw/zinc/43/15/61/721431561.db2.gz UECBQILADNJCTB-KOSHJBKYSA-N 1 1 439.991 3.525 20 30 IHEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(CC#N)cc1Cl)CC2 ZINC001164791313 721470068 /nfs/dbraw/zinc/47/00/68/721470068.db2.gz WZFRGGJDGDQKKK-FQEVSTJZSA-N 1 1 432.996 3.535 20 30 IHEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)c(C#N)cc1Cl)CC2 ZINC001164790663 721473486 /nfs/dbraw/zinc/47/34/86/721473486.db2.gz UFAOYGUZPHILHN-FQEVSTJZSA-N 1 1 432.996 3.649 20 30 IHEDMO Cc1c(Cl)c(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1C#N ZINC001164809649 721537872 /nfs/dbraw/zinc/53/78/72/721537872.db2.gz VVAGDHGWGJKBMB-LNLFQRSKSA-N 1 1 432.355 3.832 20 30 IHEDMO Cc1c(Cl)c(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1C#N ZINC001164809649 721537876 /nfs/dbraw/zinc/53/78/76/721537876.db2.gz VVAGDHGWGJKBMB-LNLFQRSKSA-N 1 1 432.355 3.832 20 30 IHEDMO CCOC(=O)c1cc(C)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C#N ZINC001165027560 721807057 /nfs/dbraw/zinc/80/70/57/721807057.db2.gz WHCFHWSIKKTLAA-CDNPAEQRSA-N 1 1 433.556 3.570 20 30 IHEDMO N#Cc1ccc(-c2cccs2)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975222 722143405 /nfs/dbraw/zinc/14/34/05/722143405.db2.gz GBTMUNKXEIPCHE-IFMALSPDSA-N 1 1 431.565 3.804 20 30 IHEDMO C=CCOC[C@@H]1CCC[C@]12CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CCO2 ZINC001164977494 722167741 /nfs/dbraw/zinc/16/77/41/722167741.db2.gz OJMIIORLENIDKI-NVQXNPDNSA-N 1 1 434.584 3.613 20 30 IHEDMO C=CCOC[C@@H]1CCC[C@]12CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CCO2 ZINC001164977494 722167744 /nfs/dbraw/zinc/16/77/44/722167744.db2.gz OJMIIORLENIDKI-NVQXNPDNSA-N 1 1 434.584 3.613 20 30 IHEDMO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164632517 719106535 /nfs/dbraw/zinc/10/65/35/719106535.db2.gz ZQELTLFDZZNKHE-PWRODBHTSA-N 1 1 433.556 3.526 20 30 IHEDMO CSc1nc(Cl)c(C#N)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164701361 719885856 /nfs/dbraw/zinc/88/58/56/719885856.db2.gz NKKHZUXFAWPICF-UHFFFAOYSA-N 1 1 436.006 3.656 20 30 IHEDMO CSc1nc(Cl)c(C#N)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164701361 719885857 /nfs/dbraw/zinc/88/58/57/719885857.db2.gz NKKHZUXFAWPICF-UHFFFAOYSA-N 1 1 436.006 3.656 20 30 IHEDMO 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 720551185 /nfs/dbraw/zinc/55/11/85/720551185.db2.gz IDASEYZGTORLIS-FGTMMUONSA-N 1 1 434.922 3.726 20 30 IHEDMO 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 720577978 /nfs/dbraw/zinc/57/79/78/720577978.db2.gz VDUQZRHNOJGUKX-CBQOVEMMSA-N 1 1 449.603 3.512 20 30 IHEDMO N#Cc1ccc(-c2cccs2)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745172 720848577 /nfs/dbraw/zinc/84/85/77/720848577.db2.gz MFTOHQNQDKBRFN-RZUBCFFCSA-N 1 1 445.596 3.653 20 30 IHEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc(C)c1C#N)CC2 ZINC001164789463 721451324 /nfs/dbraw/zinc/45/13/24/721451324.db2.gz WNNBQAKKBWRWOB-LJQANCHMSA-N 1 1 432.996 3.649 20 30 IHEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C4(C#N)CCOCC4)cn3)C[C@H]21 ZINC001165024581 721821738 /nfs/dbraw/zinc/82/17/38/721821738.db2.gz KNIBGTFZFXEKBM-AGILITTLSA-N 1 1 431.584 3.785 20 30 IHEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963795 722054942 /nfs/dbraw/zinc/05/49/42/722054942.db2.gz LCVKEAUNYBAXJQ-UHFFFAOYSA-N 1 1 447.917 3.666 20 30 IHEDMO N#Cc1c(Cl)c2ccccc2nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985584 722138108 /nfs/dbraw/zinc/13/81/08/722138108.db2.gz ZZSLXQXRWFMNRW-GCJKJVERSA-N 1 1 433.943 3.882 20 30 IHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C)c3C#N)C2)C1 ZINC001164778440 721334473 /nfs/dbraw/zinc/33/44/73/721334473.db2.gz WOUUEFFMFMUFKJ-QFIPXVFZSA-N 1 1 429.952 3.639 20 30 IHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C)c3C#N)C2)C1 ZINC001164778440 721334478 /nfs/dbraw/zinc/33/44/78/721334478.db2.gz WOUUEFFMFMUFKJ-QFIPXVFZSA-N 1 1 429.952 3.639 20 30 IHEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C3(C#N)CCC3)cn1)CC2 ZINC001164784752 721459374 /nfs/dbraw/zinc/45/93/74/721459374.db2.gz KBWQSKCCRAIFOU-HSZRJFAPSA-N 1 1 438.616 3.761 20 30 IHEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C3(C#N)CCC3)cn1)CC2 ZINC001164784762 721459643 /nfs/dbraw/zinc/45/96/43/721459643.db2.gz KBWQSKCCRAIFOU-QHCPKHFHSA-N 1 1 438.616 3.761 20 30 IHEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C4(C#N)CCOCC4)cn3)C[C@H]21 ZINC001165024588 721821854 /nfs/dbraw/zinc/82/18/54/721821854.db2.gz KNIBGTFZFXEKBM-TUACAJSNSA-N 1 1 431.584 3.785 20 30 IHEDMO CSc1nc(Cl)c(C=NO)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953613 722015368 /nfs/dbraw/zinc/01/53/68/722015368.db2.gz VUILDZHQELPPPD-UHFFFAOYSA-N 1 1 432.981 3.548 20 30 IHEDMO C[Si](C)(C)C#Cc1cccnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961509 722057600 /nfs/dbraw/zinc/05/76/00/722057600.db2.gz LBZJUBGCDBKBFT-UHFFFAOYSA-N 1 1 434.660 3.825 20 30 IHEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979229 722102613 /nfs/dbraw/zinc/10/26/13/722102613.db2.gz HNGLIEIOPUBXST-RCZVLFRGSA-N 1 1 443.526 3.882 20 30 IHEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)C2 ZINC001164806780 720074560 /nfs/dbraw/zinc/07/45/60/720074560.db2.gz DGQDJRPXUFKGTJ-AUUYWEPGSA-N 1 1 445.341 3.990 20 30 IHEDMO N#CCc1ccc(OCc2ccc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2)cc1 ZINC001164731515 720446666 /nfs/dbraw/zinc/44/66/66/720446666.db2.gz LJYCWFPOEHSHIK-DQEYMECFSA-N 1 1 425.536 3.975 20 30 IHEDMO 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 720540301 /nfs/dbraw/zinc/54/03/01/720540301.db2.gz ALORKMUOKUOFPI-SNRMKQJTSA-N 1 1 434.922 3.726 20 30 IHEDMO 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 720548180 /nfs/dbraw/zinc/54/81/80/720548180.db2.gz UKTJGBBLJQBTAS-NZSAHSFTSA-N 1 1 434.922 3.726 20 30 IHEDMO 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 720576967 /nfs/dbraw/zinc/57/69/67/720576967.db2.gz VDUQZRHNOJGUKX-VCOUNFBDSA-N 1 1 449.603 3.512 20 30 IHEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(-c4ccncc4)ccc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836633 720595769 /nfs/dbraw/zinc/59/57/69/720595769.db2.gz GAFJTASXTOOJIH-WPFOTENUSA-N 1 1 427.556 3.590 20 30 IHEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836266 720640181 /nfs/dbraw/zinc/64/01/81/720640181.db2.gz FOAVWDSIOSMKOI-QMHWCDLVSA-N 1 1 445.527 3.589 20 30 IHEDMO N#Cc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164750858 720867202 /nfs/dbraw/zinc/86/72/02/720867202.db2.gz KBTBCGCQPZYJQD-URXFXBBRSA-N 1 1 437.975 3.757 20 30 IHEDMO N#Cc1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164750861 720867550 /nfs/dbraw/zinc/86/75/50/720867550.db2.gz KBTBCGCQPZYJQD-XUZZJYLKSA-N 1 1 437.975 3.757 20 30 IHEDMO N#Cc1cnc(Cl)cc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753341 720874378 /nfs/dbraw/zinc/87/43/78/720874378.db2.gz PDDJJXYJJJDIHN-XUZZJYLKSA-N 1 1 437.975 3.757 20 30 IHEDMO Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1CC#N ZINC001164750705 720916638 /nfs/dbraw/zinc/91/66/38/720916638.db2.gz KCFSTPPYAICXAI-AZGAKELHSA-N 1 1 431.584 3.606 20 30 IHEDMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cc(-c3ccc(C#N)cc3)nnc1Cl)CC2 ZINC001164875327 721328005 /nfs/dbraw/zinc/32/80/05/721328005.db2.gz KIBQQYCJWAPGOY-UHFFFAOYSA-N 1 1 446.889 3.848 20 30 IHEDMO N#Cc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164784200 721437162 /nfs/dbraw/zinc/43/71/62/721437162.db2.gz KTAYWJWSFMXMEC-IYBDPMFKSA-N 1 1 438.944 3.819 20 30 IHEDMO N#Cc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164784200 721437167 /nfs/dbraw/zinc/43/71/67/721437167.db2.gz KTAYWJWSFMXMEC-IYBDPMFKSA-N 1 1 438.944 3.819 20 30 IHEDMO CCCc1cc(C#N)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1Cl ZINC001164809842 721561482 /nfs/dbraw/zinc/56/14/82/721561482.db2.gz XMVOAIVVFPFXMA-HKBOAZHASA-N 1 1 425.964 3.822 20 30 IHEDMO CCCc1cc(C#N)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1Cl ZINC001164809842 721561485 /nfs/dbraw/zinc/56/14/85/721561485.db2.gz XMVOAIVVFPFXMA-HKBOAZHASA-N 1 1 425.964 3.822 20 30 IHEDMO CCCc1cc(C#N)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1Cl ZINC001164809844 721561905 /nfs/dbraw/zinc/56/19/05/721561905.db2.gz XMVOAIVVFPFXMA-QHAWAJNXSA-N 1 1 425.964 3.822 20 30 IHEDMO CCCc1cc(C#N)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1Cl ZINC001164809844 721561910 /nfs/dbraw/zinc/56/19/10/721561910.db2.gz XMVOAIVVFPFXMA-QHAWAJNXSA-N 1 1 425.964 3.822 20 30 IHEDMO Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(C#C[Si](C)(C)C)c1 ZINC001164807889 721570921 /nfs/dbraw/zinc/57/09/21/721570921.db2.gz TZOZSLPFZJNNST-KMDXXIMOSA-N 1 1 434.660 3.882 20 30 IHEDMO N#Cc1ccc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1Cl ZINC001164961162 722052138 /nfs/dbraw/zinc/05/21/38/722052138.db2.gz SZAACBIQFTVRIV-UHFFFAOYSA-N 1 1 447.917 3.666 20 30 IHEDMO Cc1ccc([C@H](C#N)c2ccc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nn2)cc1 ZINC001164647127 719307315 /nfs/dbraw/zinc/30/73/15/719307315.db2.gz KZGKJDVHLZVWHH-NRFANRHFSA-N 1 1 429.572 3.842 20 30 IHEDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C#N)c3cc(Cl)ccc3n1)CCC2 ZINC001164816122 720243326 /nfs/dbraw/zinc/24/33/26/720243326.db2.gz HBQZSMJXCAHVFJ-UHFFFAOYSA-N 1 1 436.947 3.567 20 30 IHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)cc3C#N)CC[C@@H]21 ZINC001164843146 720578138 /nfs/dbraw/zinc/57/81/38/720578138.db2.gz WXWSSGUJJCWACX-LNLFQRSKSA-N 1 1 434.922 3.726 20 30 IHEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(-c4ccncc4)ccc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836626 720594854 /nfs/dbraw/zinc/59/48/54/720594854.db2.gz GAFJTASXTOOJIH-AOHZBQACSA-N 1 1 427.556 3.590 20 30 IHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC[C@@H]21 ZINC001164836269 720640656 /nfs/dbraw/zinc/64/06/56/720640656.db2.gz FOAVWDSIOSMKOI-RFWXGWTQSA-N 1 1 445.527 3.589 20 30 IHEDMO N#Cc1cc(Cl)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757500 720884782 /nfs/dbraw/zinc/88/47/82/720884782.db2.gz VITAQDKUXGGUQL-HYBUGGRVSA-N 1 1 437.975 3.757 20 30 IHEDMO N#Cc1cnc2cc[nH]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c1-2 ZINC001164756216 720904417 /nfs/dbraw/zinc/90/44/17/720904417.db2.gz OHEIZZXHRAQFPQ-BKMJKUGQSA-N 1 1 442.567 3.585 20 30 IHEDMO N#Cc1cc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2[nH]1 ZINC001164746523 720907172 /nfs/dbraw/zinc/90/71/72/720907172.db2.gz BICHDGCNDCRGDG-HFZDXXHNSA-N 1 1 442.567 3.585 20 30 IHEDMO Cc1ccc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c(C#N)c(Cl)c2c1 ZINC001164869667 721197713 /nfs/dbraw/zinc/19/77/13/721197713.db2.gz RMDSYSCBGCPYCC-MOPGFXCFSA-N 1 1 433.943 3.943 20 30 IHEDMO N#Cc1ccc(Oc2nc(Cl)ncc2N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164784196 721436908 /nfs/dbraw/zinc/43/69/08/721436908.db2.gz KTAYWJWSFMXMEC-HZPDHXFCSA-N 1 1 438.944 3.819 20 30 IHEDMO CSc1nc(Cl)c(C=NO)c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792269 721492445 /nfs/dbraw/zinc/49/24/45/721492445.db2.gz MFMMHWQLFAURJP-UHFFFAOYSA-N 1 1 447.008 3.936 20 30 IHEDMO Cc1c(Cl)c(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1C#N ZINC001164809646 721538471 /nfs/dbraw/zinc/53/84/71/721538471.db2.gz VVAGDHGWGJKBMB-JENIJYKNSA-N 1 1 432.355 3.832 20 30 IHEDMO Cc1c(Cl)c(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1C#N ZINC001164809646 721538472 /nfs/dbraw/zinc/53/84/72/721538472.db2.gz VVAGDHGWGJKBMB-JENIJYKNSA-N 1 1 432.355 3.832 20 30 IHEDMO N#C[C@H](c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1)c1ccccc1F ZINC001164911963 721542459 /nfs/dbraw/zinc/54/24/59/721542459.db2.gz XVCRMJRZRIETJX-CBQOVEMMSA-N 1 1 447.489 3.752 20 30 IHEDMO CCCc1cc(C#N)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1Cl ZINC001164809841 721561662 /nfs/dbraw/zinc/56/16/62/721561662.db2.gz XMVOAIVVFPFXMA-ACRUOGEOSA-N 1 1 425.964 3.822 20 30 IHEDMO CCCc1cc(C#N)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1Cl ZINC001164809841 721561665 /nfs/dbraw/zinc/56/16/65/721561665.db2.gz XMVOAIVVFPFXMA-ACRUOGEOSA-N 1 1 425.964 3.822 20 30 IHEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccs3)ccc2C#N)[C@@H]2CCCO[C@H]21 ZINC001164809590 721579342 /nfs/dbraw/zinc/57/93/42/721579342.db2.gz UCYRYYAIGGOCKX-MQSCRBSSSA-N 1 1 431.565 3.945 20 30 IHEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccs3)ccc2C#N)[C@@H]2CCCO[C@H]21 ZINC001164809590 721579344 /nfs/dbraw/zinc/57/93/44/721579344.db2.gz UCYRYYAIGGOCKX-MQSCRBSSSA-N 1 1 431.565 3.945 20 30 IHEDMO CCOC(=O)c1cc(C)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C#N ZINC001165027562 721806817 /nfs/dbraw/zinc/80/68/17/721806817.db2.gz WHCFHWSIKKTLAA-NMNUPHIUSA-N 1 1 433.556 3.570 20 30 IHEDMO Cc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164985457 722134374 /nfs/dbraw/zinc/13/43/74/722134374.db2.gz ZOOJZLYITSAJPC-DNQXCXABSA-N 1 1 434.660 3.741 20 30 IHEDMO CC1(C)CCCc2cc(C#N)c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164975293 722156400 /nfs/dbraw/zinc/15/64/00/722156400.db2.gz RJTMPKWBVVRGNH-JTHBVZDNSA-N 1 1 431.584 3.689 20 30 IHEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3c(cc1C#N)CCCC3)CC2 ZINC001164713857 720140388 /nfs/dbraw/zinc/14/03/88/720140388.db2.gz TVGQWSFKXIHRBG-QHCPKHFHSA-N 1 1 431.584 3.735 20 30 IHEDMO N#CCc1ccc(OCc2ccc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2)cc1 ZINC001164731516 720447011 /nfs/dbraw/zinc/44/70/11/720447011.db2.gz LJYCWFPOEHSHIK-JWQCQUIFSA-N 1 1 425.536 3.975 20 30 IHEDMO 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 720547944 /nfs/dbraw/zinc/54/79/44/720547944.db2.gz UKTJGBBLJQBTAS-WDSOQIARSA-N 1 1 434.922 3.726 20 30 IHEDMO CSc1nc(Cl)c(C#N)c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837074 720655563 /nfs/dbraw/zinc/65/55/63/720655563.db2.gz BFJWVXMCBPNDTB-KRWDZBQOSA-N 1 1 444.004 3.983 20 30 IHEDMO Cc1cc(C#N)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C ZINC001164756323 720884229 /nfs/dbraw/zinc/88/42/29/720884229.db2.gz PUOGSBIZBOJHGM-AOYPEHQESA-N 1 1 431.584 3.720 20 30 IHEDMO N#Cc1cnc2cc[nH]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c1-2 ZINC001164756215 720903852 /nfs/dbraw/zinc/90/38/52/720903852.db2.gz OHEIZZXHRAQFPQ-ATIYNZHBSA-N 1 1 442.567 3.585 20 30 IHEDMO N#Cc1cc2c(nc1N1CC[C@]3(C1)C[N@@H+](CC1CC1)C[C@H]3COCc1cccnc1)CCC2 ZINC001164747144 720910640 /nfs/dbraw/zinc/91/06/40/720910640.db2.gz BXZZTAICJVMTFS-RPLLCQBOSA-N 1 1 443.595 3.592 20 30 IHEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164764800 721250503 /nfs/dbraw/zinc/25/05/03/721250503.db2.gz QFUMZCAAVJPFNC-IAGOWNOFSA-N 1 1 438.938 3.899 20 30 IHEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cc1 ZINC001164896903 721514621 /nfs/dbraw/zinc/51/46/21/721514621.db2.gz CBDRFYJYRSJVQO-NHTMILBNSA-N 1 1 443.526 3.922 20 30 IHEDMO Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(C#C[Si](C)(C)C)c1 ZINC001164807892 721570368 /nfs/dbraw/zinc/57/03/68/721570368.db2.gz TZOZSLPFZJNNST-SGNDLWITSA-N 1 1 434.660 3.882 20 30 IHEDMO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164632503 719106381 /nfs/dbraw/zinc/10/63/81/719106381.db2.gz ZQELTLFDZZNKHE-HBMCJLEFSA-N 1 1 433.556 3.526 20 30 IHEDMO N#Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164753264 720873172 /nfs/dbraw/zinc/87/31/72/720873172.db2.gz OPVGWKRSZNWISO-QPPBQGQZSA-N 1 1 437.975 3.757 20 30 IHEDMO N#Cc1c(Cl)ccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747148 720879843 /nfs/dbraw/zinc/87/98/43/720879843.db2.gz AFLOITOINOERDD-GBXCKJPGSA-N 1 1 437.975 3.757 20 30 IHEDMO N#Cc1c(Cl)ccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747166 720880243 /nfs/dbraw/zinc/88/02/43/720880243.db2.gz AFLOITOINOERDD-YKSBVNFPSA-N 1 1 437.975 3.757 20 30 IHEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164868835 721196965 /nfs/dbraw/zinc/19/69/65/721196965.db2.gz OCZVNHRCRFCOHL-MOPGFXCFSA-N 1 1 433.943 3.943 20 30 IHEDMO Cc1ccc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c(C#N)c(Cl)c2c1 ZINC001164869671 721197557 /nfs/dbraw/zinc/19/75/57/721197557.db2.gz RMDSYSCBGCPYCC-RBUKOAKNSA-N 1 1 433.943 3.943 20 30 IHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc4c(cc3C#N)CCCC4)C2)C1 ZINC001164785106 721366478 /nfs/dbraw/zinc/36/64/78/721366478.db2.gz SBLJOBUWQFIQGK-RUZDIDTESA-N 1 1 435.572 3.556 20 30 IHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc4c(cc3C#N)CCCC4)C2)C1 ZINC001164785106 721366483 /nfs/dbraw/zinc/36/64/83/721366483.db2.gz SBLJOBUWQFIQGK-RUZDIDTESA-N 1 1 435.572 3.556 20 30 IHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)c(C#N)cc3Cl)C2)C1 ZINC001164781831 721376061 /nfs/dbraw/zinc/37/60/61/721376061.db2.gz KMJRXOLRKNHYFX-JOCHJYFZSA-N 1 1 429.952 3.639 20 30 IHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)c(C#N)cc3Cl)C2)C1 ZINC001164781831 721376065 /nfs/dbraw/zinc/37/60/65/721376065.db2.gz KMJRXOLRKNHYFX-JOCHJYFZSA-N 1 1 429.952 3.639 20 30 IHEDMO N#Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164790373 721436978 /nfs/dbraw/zinc/43/69/78/721436978.db2.gz XSTRPZQZHPSGAV-HOTGVXAUSA-N 1 1 438.944 3.819 20 30 IHEDMO CCOC(=O)c1cc(C)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1C#N ZINC001164907812 721750007 /nfs/dbraw/zinc/75/00/07/721750007.db2.gz AZMAAOIPYGGVSI-UHFFFAOYSA-N 1 1 445.523 3.621 20 30 IHEDMO CCOC(=O)c1cc(C)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1C#N ZINC001164907812 721750009 /nfs/dbraw/zinc/75/00/09/721750009.db2.gz AZMAAOIPYGGVSI-UHFFFAOYSA-N 1 1 445.523 3.621 20 30 IHEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C5(C#N)CCOCC5)cn4)CC3)C2)cc1 ZINC001164940711 721930148 /nfs/dbraw/zinc/93/01/48/721930148.db2.gz YDUCJIMUBUYEIR-UHFFFAOYSA-N 1 1 446.595 3.833 20 30 IHEDMO N#Cc1c(Cl)cc(Cl)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164965581 722062032 /nfs/dbraw/zinc/06/20/32/722062032.db2.gz KTRVKOKOVXCLNK-UHFFFAOYSA-N 1 1 432.355 3.774 20 30 IHEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)C2 ZINC001164806787 720074311 /nfs/dbraw/zinc/07/43/11/720074311.db2.gz DGQDJRPXUFKGTJ-KUHUBIRLSA-N 1 1 445.341 3.990 20 30 IHEDMO 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 720511240 /nfs/dbraw/zinc/51/12/40/720511240.db2.gz XYNKNAXQUYRBSG-FGTMMUONSA-N 1 1 434.922 3.726 20 30 IHEDMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccnc(Cl)c3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839059 720515273 /nfs/dbraw/zinc/51/52/73/720515273.db2.gz SIYRMKYDDFCQBS-TXPKVOOTSA-N 1 1 434.922 3.726 20 30 IHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C#N)CC[C@@H]21 ZINC001164834171 720527865 /nfs/dbraw/zinc/52/78/65/720527865.db2.gz CLUPLCOVPUNHGI-GJYPPUQNSA-N 1 1 434.922 3.726 20 30 IHEDMO 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 720550785 /nfs/dbraw/zinc/55/07/85/720550785.db2.gz IDASEYZGTORLIS-SQNIBIBYSA-N 1 1 434.922 3.726 20 30 IHEDMO Cc1cc(C#N)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C ZINC001164756322 720883982 /nfs/dbraw/zinc/88/39/82/720883982.db2.gz PUOGSBIZBOJHGM-AHWVRZQESA-N 1 1 431.584 3.720 20 30 IHEDMO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869574 721190088 /nfs/dbraw/zinc/19/00/88/721190088.db2.gz QOKCLEZUZWGPAR-ZWKOTPCHSA-N 1 1 437.906 3.774 20 30 IHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(CC#N)cc3Cl)C2)C1 ZINC001164783792 721371640 /nfs/dbraw/zinc/37/16/40/721371640.db2.gz PLKIUPQFVCWVIS-QFIPXVFZSA-N 1 1 429.952 3.525 20 30 IHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(CC#N)cc3Cl)C2)C1 ZINC001164783792 721371650 /nfs/dbraw/zinc/37/16/50/721371650.db2.gz PLKIUPQFVCWVIS-QFIPXVFZSA-N 1 1 429.952 3.525 20 30 IHEDMO N#Cc1cc(-c2ccnc(Cl)n2)c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)cc1F ZINC001164788979 721412148 /nfs/dbraw/zinc/41/21/48/721412148.db2.gz TZOQRLWAAXIRCS-HUUCEWRRSA-N 1 1 440.935 3.832 20 30 IHEDMO N#Cc1cccc(Oc2nc(Cl)ncc2N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164781500 721436864 /nfs/dbraw/zinc/43/68/64/721436864.db2.gz DTMXUQRCHYXEHZ-HZPDHXFCSA-N 1 1 438.944 3.819 20 30 IHEDMO N#Cc1c(Cl)c2ccccc2nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985578 722138276 /nfs/dbraw/zinc/13/82/76/722138276.db2.gz ZZSLXQXRWFMNRW-AVRDEDQJSA-N 1 1 433.943 3.882 20 30 IHEDMO N#Cc1c(Cl)c2ccccc2nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985586 722138416 /nfs/dbraw/zinc/13/84/16/722138416.db2.gz ZZSLXQXRWFMNRW-PGRDOPGGSA-N 1 1 433.943 3.882 20 30 IHEDMO 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 ZINC001164841240 720511475 /nfs/dbraw/zinc/51/14/75/720511475.db2.gz XYNKNAXQUYRBSG-BZSNNMDCSA-N 1 1 434.922 3.726 20 30 IHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccnc(Cl)c3C#N)CC[C@@H]21 ZINC001164839056 720515022 /nfs/dbraw/zinc/51/50/22/720515022.db2.gz SIYRMKYDDFCQBS-BXWFABGCSA-N 1 1 434.922 3.726 20 30 IHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3c(C#N)cnc4cnc(Cl)cc43)CC[C@@H]21 ZINC001164837306 720517252 /nfs/dbraw/zinc/51/72/52/720517252.db2.gz PBKJLWOWVMCZSM-MMOPVJDHSA-N 1 1 435.963 3.729 20 30 IHEDMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)cc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843145 720577732 /nfs/dbraw/zinc/57/77/32/720577732.db2.gz WXWSSGUJJCWACX-JENIJYKNSA-N 1 1 434.922 3.726 20 30 IHEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C3(C#N)CCOCC3)cn1)CC2 ZINC001164841751 720707933 /nfs/dbraw/zinc/70/79/33/720707933.db2.gz WPBFEVMHERALKI-DEOSSOPVSA-N 1 1 446.595 3.913 20 30 IHEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C3(C#N)CCOCC3)cn1)CC2 ZINC001164841754 720708814 /nfs/dbraw/zinc/70/88/14/720708814.db2.gz WPBFEVMHERALKI-XMMPIXPASA-N 1 1 446.595 3.913 20 30 IHEDMO N#Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2ccc(Cl)cc12 ZINC001164749430 720856277 /nfs/dbraw/zinc/85/62/77/720856277.db2.gz NEFDGPYLFFJPJK-QMHWCDLVSA-N 1 1 447.974 3.731 20 30 IHEDMO N#Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164753268 720873423 /nfs/dbraw/zinc/87/34/23/720873423.db2.gz OPVGWKRSZNWISO-URXFXBBRSA-N 1 1 437.975 3.757 20 30 IHEDMO N#Cc1cc(Cl)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751703 720900444 /nfs/dbraw/zinc/90/04/44/720900444.db2.gz DCJYIDVWJSPZND-XUZZJYLKSA-N 1 1 437.975 3.757 20 30 IHEDMO N#Cc1cc2c(nc1N1CC[C@]3(C1)C[N@@H+](CC1CC1)C[C@@H]3COCc1cccnc1)CCC2 ZINC001164747151 720911182 /nfs/dbraw/zinc/91/11/82/720911182.db2.gz BXZZTAICJVMTFS-SHQCIBLASA-N 1 1 443.595 3.592 20 30 IHEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870900 721051784 /nfs/dbraw/zinc/05/17/84/721051784.db2.gz XERHDVDENSGJDK-PKTZIBPZSA-N 1 1 429.499 3.634 20 30 IHEDMO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869570 721190596 /nfs/dbraw/zinc/19/05/96/721190596.db2.gz QOKCLEZUZWGPAR-QZTJIDSGSA-N 1 1 437.906 3.774 20 30 IHEDMO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869545 721190728 /nfs/dbraw/zinc/19/07/28/721190728.db2.gz QOKCLEZUZWGPAR-MSOLQXFVSA-N 1 1 437.906 3.774 20 30 IHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4c(cc3C#N)CCCC4)C2)C1 ZINC001164785113 721366867 /nfs/dbraw/zinc/36/68/67/721366867.db2.gz SBLJOBUWQFIQGK-VWLOTQADSA-N 1 1 435.572 3.556 20 30 IHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc4c(cc3C#N)CCCC4)C2)C1 ZINC001164785113 721366869 /nfs/dbraw/zinc/36/68/69/721366869.db2.gz SBLJOBUWQFIQGK-VWLOTQADSA-N 1 1 435.572 3.556 20 30 IHEDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(C#N)c5cc(Cl)ccc5n4)C3)O2)CC1 ZINC001164897920 721445664 /nfs/dbraw/zinc/44/56/64/721445664.db2.gz VDXFBSMPEGITCG-GBXCKJPGSA-N 1 1 439.991 3.525 20 30 IHEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(C#N)c5cc(Cl)ccc5n4)C3)O2)CC1 ZINC001164897935 721445810 /nfs/dbraw/zinc/44/58/10/721445810.db2.gz VDXFBSMPEGITCG-YKSBVNFPSA-N 1 1 439.991 3.525 20 30 IHEDMO CCOC(=O)c1cc(C)nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1C#N ZINC001164938942 721923707 /nfs/dbraw/zinc/92/37/07/721923707.db2.gz CMAUOLLTKFIUHL-UHFFFAOYSA-N 1 1 448.567 3.618 20 30 IHEDMO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045586 721962006 /nfs/dbraw/zinc/96/20/06/721962006.db2.gz ZZLGDJADOFZJCZ-UHFFFAOYSA-N 1 1 435.915 3.995 20 30 IHEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963863 722056600 /nfs/dbraw/zinc/05/66/00/722056600.db2.gz OSAYXDSCTGHIRH-UHFFFAOYSA-N 1 1 447.917 3.666 20 30 IHEDMO C[N@@H+](Cc1ccc(N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)nc1)C1CC1 ZINC001165005615 722258936 /nfs/dbraw/zinc/25/89/36/722258936.db2.gz YNGKYPXMQSMWRR-AREMUKBSSA-N 1 1 431.584 3.671 20 30 IHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc([C@@H](C#N)c3ccc(C)cc3)nn1)C2 ZINC001164812756 720076978 /nfs/dbraw/zinc/07/69/78/720076978.db2.gz RRVDLKBJNMLWMM-FXSPECFOSA-N 1 1 431.584 3.625 20 30 IHEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C3(C#N)CCC3)cn1)CC2 ZINC001164716984 720117500 /nfs/dbraw/zinc/11/75/00/720117500.db2.gz MVRBSVHHQZGHJF-HSZRJFAPSA-N 1 1 431.584 3.929 20 30 IHEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3c(C#N)cnc4cnc(Cl)cc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837299 720516628 /nfs/dbraw/zinc/51/66/28/720516628.db2.gz PBKJLWOWVMCZSM-DJPFJPOOSA-N 1 1 435.963 3.729 20 30 IHEDMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc(Cl)nc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834173 720527330 /nfs/dbraw/zinc/52/73/30/720527330.db2.gz CLUPLCOVPUNHGI-JTDSTZFVSA-N 1 1 434.922 3.726 20 30 IHEDMO 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 720550874 /nfs/dbraw/zinc/55/08/74/720550874.db2.gz IDASEYZGTORLIS-OKZBNKHCSA-N 1 1 434.922 3.726 20 30 IHEDMO 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 720550976 /nfs/dbraw/zinc/55/09/76/720550976.db2.gz IDASEYZGTORLIS-BZSNNMDCSA-N 1 1 434.922 3.726 20 30 IHEDMO CC1(C)CCCc2cc(C#N)c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164744673 720859772 /nfs/dbraw/zinc/85/97/72/720859772.db2.gz CEPTZVFBBFAJEL-YTFSRNRJSA-N 1 1 445.615 3.538 20 30 IHEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c12 ZINC001164764803 721250734 /nfs/dbraw/zinc/25/07/34/721250734.db2.gz QFUMZCAAVJPFNC-IRXDYDNUSA-N 1 1 438.938 3.899 20 30 IHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc4ccc(C#N)cc43)C2)C1 ZINC001164777228 721346598 /nfs/dbraw/zinc/34/65/98/721346598.db2.gz FDJVOTNNSIKNHJ-VWLOTQADSA-N 1 1 431.540 3.830 20 30 IHEDMO CSc1nc(-c2ccccc2)nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1C#N ZINC001164784048 721417096 /nfs/dbraw/zinc/41/70/96/721417096.db2.gz KFXBXJNMVZIOJU-CALCHBBNSA-N 1 1 434.594 3.762 20 30 IHEDMO CSc1nc(-c2ccccc2)nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1C#N ZINC001164784048 721417097 /nfs/dbraw/zinc/41/70/97/721417097.db2.gz KFXBXJNMVZIOJU-CALCHBBNSA-N 1 1 434.594 3.762 20 30 IHEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)c(Cl)c(C)c1C#N)CC2 ZINC001164783276 721451667 /nfs/dbraw/zinc/45/16/67/721451667.db2.gz BAEMJNVRBDRRQQ-HXUWFJFHSA-N 1 1 447.023 3.957 20 30 IHEDMO N#Cc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001164957427 722024388 /nfs/dbraw/zinc/02/43/88/722024388.db2.gz BQEPKJOKJGRVTR-UHFFFAOYSA-N 1 1 428.496 3.902 20 30 IHEDMO Cc1c(Cl)c(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164978407 722106014 /nfs/dbraw/zinc/10/60/14/722106014.db2.gz GUKLDUBOBRJJAL-FUHWJXTLSA-N 1 1 432.355 3.691 20 30 IHEDMO Cc1ccc([C@@H](C#N)c2ccc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nn2)cc1 ZINC001164647132 719307495 /nfs/dbraw/zinc/30/74/95/719307495.db2.gz KZGKJDVHLZVWHH-OAQYLSRUSA-N 1 1 429.572 3.842 20 30 IHEDMO C=CCN1C(=O)CC[C@@]12CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)[C@H]2CC ZINC001164699050 719821794 /nfs/dbraw/zinc/82/17/94/719821794.db2.gz GGLFDBSJJWHBOJ-RPLLCQBOSA-N 1 1 445.611 3.961 20 30 IHEDMO C=CCN1C(=O)CC[C@@]12CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)[C@H]2CC ZINC001164699050 719821797 /nfs/dbraw/zinc/82/17/97/719821797.db2.gz GGLFDBSJJWHBOJ-RPLLCQBOSA-N 1 1 445.611 3.961 20 30 IHEDMO C=CCN1C(=O)CC[C@@]12CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)[C@@H]2CC ZINC001164699053 719822182 /nfs/dbraw/zinc/82/21/82/719822182.db2.gz GGLFDBSJJWHBOJ-SHQCIBLASA-N 1 1 445.611 3.961 20 30 IHEDMO C=CCN1C(=O)CC[C@@]12CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)[C@@H]2CC ZINC001164699053 719822183 /nfs/dbraw/zinc/82/21/83/719822183.db2.gz GGLFDBSJJWHBOJ-SHQCIBLASA-N 1 1 445.611 3.961 20 30 IHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)C2 ZINC001164806786 720074034 /nfs/dbraw/zinc/07/40/34/720074034.db2.gz DGQDJRPXUFKGTJ-IFXJQAMLSA-N 1 1 445.341 3.990 20 30 IHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc([C@H](C#N)c3ccc(C)cc3)nn1)C2 ZINC001164812759 720076735 /nfs/dbraw/zinc/07/67/35/720076735.db2.gz RRVDLKBJNMLWMM-PPJWLVRDSA-N 1 1 431.584 3.625 20 30 IHEDMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc(Cl)nc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834175 720528105 /nfs/dbraw/zinc/52/81/05/720528105.db2.gz CLUPLCOVPUNHGI-TXPKVOOTSA-N 1 1 434.922 3.726 20 30 IHEDMO N#Cc1cnc(Cl)cc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753335 720874587 /nfs/dbraw/zinc/87/45/87/720874587.db2.gz PDDJJXYJJJDIHN-QPPBQGQZSA-N 1 1 437.975 3.757 20 30 IHEDMO N#Cc1cc(Cl)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751704 720900156 /nfs/dbraw/zinc/90/01/56/720900156.db2.gz DCJYIDVWJSPZND-ZJSXRUAMSA-N 1 1 437.975 3.757 20 30 IHEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870899 721051927 /nfs/dbraw/zinc/05/19/27/721051927.db2.gz XERHDVDENSGJDK-GOTSBHOMSA-N 1 1 429.499 3.634 20 30 IHEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164764796 721250446 /nfs/dbraw/zinc/25/04/46/721250446.db2.gz QFUMZCAAVJPFNC-DLBZAZTESA-N 1 1 438.938 3.899 20 30 IHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C)c3C#N)C2)C1 ZINC001164778439 721334769 /nfs/dbraw/zinc/33/47/69/721334769.db2.gz WOUUEFFMFMUFKJ-JOCHJYFZSA-N 1 1 429.952 3.639 20 30 IHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C)c3C#N)C2)C1 ZINC001164778439 721334773 /nfs/dbraw/zinc/33/47/73/721334773.db2.gz WOUUEFFMFMUFKJ-JOCHJYFZSA-N 1 1 429.952 3.639 20 30 IHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4c(c3C#N)CCCC4)C2)C1 ZINC001164780193 721376037 /nfs/dbraw/zinc/37/60/37/721376037.db2.gz FMUZKYBEPXKEGZ-VWLOTQADSA-N 1 1 435.572 3.556 20 30 IHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4c(c3C#N)CCCC4)C2)C1 ZINC001164780193 721376040 /nfs/dbraw/zinc/37/60/40/721376040.db2.gz FMUZKYBEPXKEGZ-VWLOTQADSA-N 1 1 435.572 3.556 20 30 IHEDMO N#Cc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164781503 721436956 /nfs/dbraw/zinc/43/69/56/721436956.db2.gz DTMXUQRCHYXEHZ-IYBDPMFKSA-N 1 1 438.944 3.819 20 30 IHEDMO N#Cc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164781503 721436958 /nfs/dbraw/zinc/43/69/58/721436958.db2.gz DTMXUQRCHYXEHZ-IYBDPMFKSA-N 1 1 438.944 3.819 20 30 IHEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)C2 ZINC001164813064 720173261 /nfs/dbraw/zinc/17/32/61/720173261.db2.gz CMACLGVJXHXUDK-SQHAQQRYSA-N 1 1 446.595 3.911 20 30 IHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(-c4ccncc4)ccc3C#N)CC[C@@H]21 ZINC001164836630 720596227 /nfs/dbraw/zinc/59/62/27/720596227.db2.gz GAFJTASXTOOJIH-GPXNEJASSA-N 1 1 427.556 3.590 20 30 IHEDMO Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C#C[Si](C)(C)C)c1 ZINC001164750262 720840999 /nfs/dbraw/zinc/84/09/99/720840999.db2.gz WXCHJUZCQAIBAJ-TZRRMPRUSA-N 1 1 448.691 3.590 20 30 IHEDMO N#Cc1cnc(Cl)cc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753338 720874400 /nfs/dbraw/zinc/87/44/00/720874400.db2.gz PDDJJXYJJJDIHN-URXFXBBRSA-N 1 1 437.975 3.757 20 30 IHEDMO N#Cc1c(Cl)ccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747161 720880294 /nfs/dbraw/zinc/88/02/94/720880294.db2.gz AFLOITOINOERDD-RDPSFJRHSA-N 1 1 437.975 3.757 20 30 IHEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164868840 721198127 /nfs/dbraw/zinc/19/81/27/721198127.db2.gz OCZVNHRCRFCOHL-RTBURBONSA-N 1 1 433.943 3.943 20 30 IHEDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5ccccc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164897549 721431686 /nfs/dbraw/zinc/43/16/86/721431686.db2.gz UECBQILADNJCTB-MHECFPHRSA-N 1 1 439.991 3.525 20 30 IHEDMO N#C[C@H](c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nn1)c1ccccc1F ZINC001164911972 721542276 /nfs/dbraw/zinc/54/22/76/721542276.db2.gz XVCRMJRZRIETJX-VCOUNFBDSA-N 1 1 447.489 3.752 20 30 IHEDMO N#Cc1cc(C#N)c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164908451 721702384 /nfs/dbraw/zinc/70/23/84/721702384.db2.gz ZGQGYSBMYHMOMN-HXUWFJFHSA-N 1 1 428.874 3.611 20 30 IHEDMO N#Cc1cc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cnc1Cl ZINC001164962256 722056093 /nfs/dbraw/zinc/05/60/93/722056093.db2.gz BYBFUVKSNYNOME-UHFFFAOYSA-N 1 1 447.917 3.666 20 30 IHEDMO N#Cc1ccc(-c2ccncc2)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961647 722059360 /nfs/dbraw/zinc/05/93/60/722059360.db2.gz NOPCFVPZAMWWNH-UHFFFAOYSA-N 1 1 440.551 3.529 20 30 IHEDMO C=CCOC[C@@H]1CCC[C@@]12CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CCO2 ZINC001164977490 722167725 /nfs/dbraw/zinc/16/77/25/722167725.db2.gz OJMIIORLENIDKI-BKMJKUGQSA-N 1 1 434.584 3.613 20 30 IHEDMO C=CCOC[C@@H]1CCC[C@@]12CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CCO2 ZINC001164977490 722167727 /nfs/dbraw/zinc/16/77/27/722167727.db2.gz OJMIIORLENIDKI-BKMJKUGQSA-N 1 1 434.584 3.613 20 30 IHEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164628379 719098698 /nfs/dbraw/zinc/09/86/98/719098698.db2.gz MOPGOHFOOQAZKV-MIZPHKNDSA-N 1 1 441.535 3.511 20 30 IHEDMO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164632509 719106365 /nfs/dbraw/zinc/10/63/65/719106365.db2.gz ZQELTLFDZZNKHE-NJDAHSKKSA-N 1 1 433.556 3.526 20 30 IHEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C)c1C#N)CC2 ZINC001164712039 720096684 /nfs/dbraw/zinc/09/66/84/720096684.db2.gz ULVUHOHJJBKRGB-IBGZPJMESA-N 1 1 425.964 3.818 20 30 IHEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(c1C#N)CCCC3)CC2 ZINC001164715678 720156160 /nfs/dbraw/zinc/15/61/60/720156160.db2.gz VYHZFDWFBIGONJ-JOCHJYFZSA-N 1 1 431.584 3.735 20 30 IHEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)C2 ZINC001164813063 720173114 /nfs/dbraw/zinc/17/31/14/720173114.db2.gz CMACLGVJXHXUDK-SHQCIBLASA-N 1 1 446.595 3.911 20 30 IHEDMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccnc(Cl)c3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839058 720514681 /nfs/dbraw/zinc/51/46/81/720514681.db2.gz SIYRMKYDDFCQBS-JTDSTZFVSA-N 1 1 434.922 3.726 20 30 IHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3C#N)CC[C@@H]21 ZINC001164839057 720515371 /nfs/dbraw/zinc/51/53/71/720515371.db2.gz SIYRMKYDDFCQBS-GJYPPUQNSA-N 1 1 434.922 3.726 20 30 IHEDMO CCOC(=O)c1cc(C)nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164842014 720676020 /nfs/dbraw/zinc/67/60/20/720676020.db2.gz KZVBKCFZSOUDNF-NRFANRHFSA-N 1 1 448.567 3.698 20 30 IHEDMO N#Cc1ccc(-c2cccs2)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745170 720848308 /nfs/dbraw/zinc/84/83/08/720848308.db2.gz MFTOHQNQDKBRFN-JAXLGGSGSA-N 1 1 445.596 3.653 20 30 IHEDMO COc1cc(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c(C#N)c(Cl)n1 ZINC001164864177 720977201 /nfs/dbraw/zinc/97/72/01/720977201.db2.gz YUDGXOOACOHHAC-CYBMUJFWSA-N 1 1 438.910 3.778 20 30 IHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C4(C#N)CCC4)cn3)C2)C1 ZINC001164779413 721350205 /nfs/dbraw/zinc/35/02/05/721350205.db2.gz SYPPCYSTZUNLST-XMMPIXPASA-N 1 1 435.572 3.751 20 30 IHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C4(C#N)CCC4)cn3)C2)C1 ZINC001164779410 721350288 /nfs/dbraw/zinc/35/02/88/721350288.db2.gz SYPPCYSTZUNLST-DEOSSOPVSA-N 1 1 435.572 3.751 20 30 IHEDMO Cc1c(Cl)c(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164978404 722106123 /nfs/dbraw/zinc/10/61/23/722106123.db2.gz GUKLDUBOBRJJAL-AEFFLSMTSA-N 1 1 432.355 3.691 20 30 IHEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(CC#N)cc1Cl)CC2 ZINC001164714638 720149918 /nfs/dbraw/zinc/14/99/18/720149918.db2.gz XURQQSJTVXVSOD-FQEVSTJZSA-N 1 1 425.964 3.704 20 30 IHEDMO Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1CC#N ZINC001164750708 720916969 /nfs/dbraw/zinc/91/69/69/720916969.db2.gz KCFSTPPYAICXAI-RSXGOPAZSA-N 1 1 431.584 3.606 20 30 IHEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870897 721052202 /nfs/dbraw/zinc/05/22/02/721052202.db2.gz XERHDVDENSGJDK-DHIUTWEWSA-N 1 1 429.499 3.634 20 30 IHEDMO N#Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164790380 721437218 /nfs/dbraw/zinc/43/72/18/721437218.db2.gz XSTRPZQZHPSGAV-IYBDPMFKSA-N 1 1 438.944 3.819 20 30 IHEDMO N#Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164790380 721437221 /nfs/dbraw/zinc/43/72/21/721437221.db2.gz XSTRPZQZHPSGAV-IYBDPMFKSA-N 1 1 438.944 3.819 20 30 IHEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3c(cc1C#N)CCCC3)CC2 ZINC001164791794 721466700 /nfs/dbraw/zinc/46/67/00/721466700.db2.gz ZIPKGWLWKCRKFD-QHCPKHFHSA-N 1 1 438.616 3.566 20 30 IHEDMO CSc1nc(Cl)c(C#N)c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792528 721489267 /nfs/dbraw/zinc/48/92/67/721489267.db2.gz KBSPXQTVXVHPPK-UHFFFAOYSA-N 1 1 428.993 4.000 20 30 IHEDMO N#C[C@H](c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1)c1ccccc1F ZINC001164911970 721542375 /nfs/dbraw/zinc/54/23/75/721542375.db2.gz XVCRMJRZRIETJX-UZKOGDIHSA-N 1 1 447.489 3.752 20 30 IHEDMO Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164985456 722133998 /nfs/dbraw/zinc/13/39/98/722133998.db2.gz ZOOJZLYITSAJPC-BJKOFHAPSA-N 1 1 434.660 3.741 20 30 IHEDMO N#Cc1ccc(-c2cccs2)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975226 722143216 /nfs/dbraw/zinc/14/32/16/722143216.db2.gz GBTMUNKXEIPCHE-RBBKRZOGSA-N 1 1 431.565 3.804 20 30 IHEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3c(C#N)cnc4cnc(Cl)cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837309 720516951 /nfs/dbraw/zinc/51/69/51/720516951.db2.gz PBKJLWOWVMCZSM-PLMTUMEDSA-N 1 1 435.963 3.729 20 30 IHEDMO 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 720539932 /nfs/dbraw/zinc/53/99/32/720539932.db2.gz ALORKMUOKUOFPI-ZYSHUDEJSA-N 1 1 434.922 3.726 20 30 IHEDMO 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 720548279 /nfs/dbraw/zinc/54/82/79/720548279.db2.gz UKTJGBBLJQBTAS-YTQUADARSA-N 1 1 434.922 3.726 20 30 IHEDMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)cc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843147 720577616 /nfs/dbraw/zinc/57/76/16/720577616.db2.gz WXWSSGUJJCWACX-ZIFCJYIRSA-N 1 1 434.922 3.726 20 30 IHEDMO CCCc1cc(C#N)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164748965 720834361 /nfs/dbraw/zinc/83/43/61/720834361.db2.gz VFFSIDYDDXLUNE-QHAWAJNXSA-N 1 1 439.995 3.530 20 30 IHEDMO 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CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccc(F)cc3)ccc1C#N)CCC2 ZINC001164812020 720213043 /nfs/dbraw/zinc/21/30/43/720213043.db2.gz KQNQLJNOJADVGH-UHFFFAOYSA-N 1 1 446.530 3.567 20 30 IHEDMO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C#C[Si](C)(C)C)c1 ZINC001164750255 720841157 /nfs/dbraw/zinc/84/11/57/720841157.db2.gz WXCHJUZCQAIBAJ-KMDXXIMOSA-N 1 1 448.691 3.590 20 30 IHEDMO N#Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2ccc(Cl)cc12 ZINC001164749417 720856010 /nfs/dbraw/zinc/85/60/10/720856010.db2.gz NEFDGPYLFFJPJK-JXHRLWIKSA-N 1 1 447.974 3.731 20 30 IHEDMO Cc1cc(C#N)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C ZINC001164756324 720884296 /nfs/dbraw/zinc/88/42/96/720884296.db2.gz PUOGSBIZBOJHGM-AZGAKELHSA-N 1 1 431.584 3.720 20 30 IHEDMO N#Cc1cnc2cc[nH]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c1-2 ZINC001164756217 720903615 /nfs/dbraw/zinc/90/36/15/720903615.db2.gz OHEIZZXHRAQFPQ-GJZUVCINSA-N 1 1 442.567 3.585 20 30 IHEDMO 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N#Cc1c[nH]c2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc12 ZINC001164753829 720894613 /nfs/dbraw/zinc/89/46/13/720894613.db2.gz HFANRBLYWKCMMQ-GJZUVCINSA-N 1 1 442.567 3.585 20 30 IHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)c(Cl)c(C)c3C#N)C2)C1 ZINC001164776514 721334739 /nfs/dbraw/zinc/33/47/39/721334739.db2.gz FYUUTQDGJQHUES-HSZRJFAPSA-N 1 1 443.979 3.947 20 30 IHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)c(Cl)c(C)c3C#N)C2)C1 ZINC001164776514 721334740 /nfs/dbraw/zinc/33/47/40/721334740.db2.gz FYUUTQDGJQHUES-HSZRJFAPSA-N 1 1 443.979 3.947 20 30 IHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4c(c3C#N)CCCC4)C2)C1 ZINC001164780192 721375448 /nfs/dbraw/zinc/37/54/48/721375448.db2.gz FMUZKYBEPXKEGZ-RUZDIDTESA-N 1 1 435.572 3.556 20 30 IHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc4c(c3C#N)CCCC4)C2)C1 ZINC001164780192 721375454 /nfs/dbraw/zinc/37/54/54/721375454.db2.gz FMUZKYBEPXKEGZ-RUZDIDTESA-N 1 1 435.572 3.556 20 30 IHEDMO 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N#Cc1cc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc(Cl)n1 ZINC001164964170 722055505 /nfs/dbraw/zinc/05/55/05/722055505.db2.gz SFOXTEPXRARCMR-UHFFFAOYSA-N 1 1 447.917 3.666 20 30 IHEDMO N#Cc1ccc(-c2cccs2)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975229 722143060 /nfs/dbraw/zinc/14/30/60/722143060.db2.gz GBTMUNKXEIPCHE-UNMCSNQZSA-N 1 1 431.565 3.804 20 30 IHEDMO CC1(C)CCCc2cc(C#N)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164975291 722156049 /nfs/dbraw/zinc/15/60/49/722156049.db2.gz RJTMPKWBVVRGNH-GGAORHGYSA-N 1 1 431.584 3.689 20 30 IHEDMO C=CCOC[C@H]1CCC[C@@]12CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CCO2 ZINC001164977489 722167700 /nfs/dbraw/zinc/16/77/00/722167700.db2.gz OJMIIORLENIDKI-ATIYNZHBSA-N 1 1 434.584 3.613 20 30 IHEDMO C=CCOC[C@H]1CCC[C@@]12CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CCO2 ZINC001164977489 722167703 /nfs/dbraw/zinc/16/77/03/722167703.db2.gz OJMIIORLENIDKI-ATIYNZHBSA-N 1 1 434.584 3.613 20 30 IHEDMO 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CSc1nc(-c2ccccc2)nc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1C#N ZINC001164724265 720403397 /nfs/dbraw/zinc/40/33/97/720403397.db2.gz IQNSDJWLRZCKFJ-SFTDATJTSA-N 1 1 428.565 3.985 20 30 IHEDMO 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 720540471 /nfs/dbraw/zinc/54/04/71/720540471.db2.gz ALORKMUOKUOFPI-AYOQOUSVSA-N 1 1 434.922 3.726 20 30 IHEDMO CSc1nc(Cl)c(C#N)c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837075 720654116 /nfs/dbraw/zinc/65/41/16/720654116.db2.gz BFJWVXMCBPNDTB-QGZVFWFLSA-N 1 1 444.004 3.983 20 30 IHEDMO N#Cc1cc(Cl)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757502 720884975 /nfs/dbraw/zinc/88/49/75/720884975.db2.gz VITAQDKUXGGUQL-YKSBVNFPSA-N 1 1 437.975 3.757 20 30 IHEDMO COCC[N@H+]1CCO[C@@H]2CN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)CC[C@@H]2C1 ZINC001164860772 720893679 /nfs/dbraw/zinc/89/36/79/720893679.db2.gz UQFRVBWQBCLZOD-RDTXWAMCSA-N 1 1 435.355 3.587 20 30 IHEDMO COCC[N@H+]1CCO[C@H]2CN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)CC[C@H]2C1 ZINC001164860760 720893952 /nfs/dbraw/zinc/89/39/52/720893952.db2.gz UQFRVBWQBCLZOD-KSSFIOAISA-N 1 1 435.355 3.587 20 30 IHEDMO N#Cc1cc2c(nc1N1CC[C@@]3(C1)C[N@@H+](CC1CC1)C[C@H]3COCc1cccnc1)CCC2 ZINC001164747134 720910245 /nfs/dbraw/zinc/91/02/45/720910245.db2.gz BXZZTAICJVMTFS-IGKIAQTJSA-N 1 1 443.595 3.592 20 30 IHEDMO Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1CC#N ZINC001164750701 720917530 /nfs/dbraw/zinc/91/75/30/720917530.db2.gz KCFSTPPYAICXAI-AOYPEHQESA-N 1 1 431.584 3.606 20 30 IHEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870901 721051284 /nfs/dbraw/zinc/05/12/84/721051284.db2.gz XERHDVDENSGJDK-XZOQPEGZSA-N 1 1 429.499 3.634 20 30 IHEDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5ccccc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164897545 721431412 /nfs/dbraw/zinc/43/14/12/721431412.db2.gz UECBQILADNJCTB-HOYKHHGWSA-N 1 1 439.991 3.525 20 30 IHEDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5ccccc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164897554 721431928 /nfs/dbraw/zinc/43/19/28/721431928.db2.gz UECBQILADNJCTB-UUOWRZLLSA-N 1 1 439.991 3.525 20 30 IHEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C(C)C)ccc1C#N)CC2 ZINC001164788706 721452019 /nfs/dbraw/zinc/45/20/19/721452019.db2.gz STKYEOQOOKJWDY-QFIPXVFZSA-N 1 1 426.605 3.811 20 30 IHEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C4(C#N)CCOCC4)cn3)C[C@@H]21 ZINC001165024583 721821605 /nfs/dbraw/zinc/82/16/05/721821605.db2.gz KNIBGTFZFXEKBM-FGCOXFRFSA-N 1 1 431.584 3.785 20 30 IHEDMO N#Cc1ccc(-c2cccs2)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975224 722143123 /nfs/dbraw/zinc/14/31/23/722143123.db2.gz GBTMUNKXEIPCHE-IRLDBZIGSA-N 1 1 431.565 3.804 20 30 IHEDMO N#CC(CCN1CCC(C(N)=O)([NH+]2CCCCC2)CC1)(c1ccccc1)c1ccccc1 ZINC000000538198 557650747 /nfs/dbraw/zinc/65/07/47/557650747.db2.gz IHEHEFLXQFOQJO-UHFFFAOYSA-N 1 1 430.596 3.692 20 30 world IHEDMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001164663134 719359311 /nfs/dbraw/zinc/35/93/11/719359311.db2.gz CJKSIJSKKWDLEF-HSZRJFAPSA-N 1 1 425.964 3.856 20 30 IHEDMO C=CCN1C(=O)CC[C@]12CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)[C@@H]2CC ZINC001164699056 719822140 /nfs/dbraw/zinc/82/21/40/719822140.db2.gz GGLFDBSJJWHBOJ-SQHAQQRYSA-N 1 1 445.611 3.961 20 30 IHEDMO C=CCN1C(=O)CC[C@]12CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)[C@@H]2CC ZINC001164699056 719822142 /nfs/dbraw/zinc/82/21/42/719822142.db2.gz GGLFDBSJJWHBOJ-SQHAQQRYSA-N 1 1 445.611 3.961 20 30 IHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3)nc(SC)c1C#N)C2 ZINC001164812479 720134903 /nfs/dbraw/zinc/13/49/03/720134903.db2.gz ONTJQFCLAJTTRD-NBGIEHNGSA-N 1 1 449.624 3.922 20 30 IHEDMO CSc1nc(-c2ccccc2)nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1C#N ZINC001164724262 720403353 /nfs/dbraw/zinc/40/33/53/720403353.db2.gz IQNSDJWLRZCKFJ-LEWJYISDSA-N 1 1 428.565 3.985 20 30 IHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc(Cl)ccc3C#N)CC[C@@H]21 ZINC001164836720 720551026 /nfs/dbraw/zinc/55/10/26/720551026.db2.gz KSTIFUSACWFEDK-BZSNNMDCSA-N 1 1 434.922 3.726 20 30 IHEDMO Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C#C[Si](C)(C)C)c1 ZINC001164750264 720841304 /nfs/dbraw/zinc/84/13/04/720841304.db2.gz WXCHJUZCQAIBAJ-WXFUMESZSA-N 1 1 448.691 3.590 20 30 IHEDMO CC1(C)CCCc2cc(C#N)c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164744668 720859823 /nfs/dbraw/zinc/85/98/23/720859823.db2.gz CEPTZVFBBFAJEL-RJGXRXQPSA-N 1 1 445.615 3.538 20 30 IHEDMO N#Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164753275 720873572 /nfs/dbraw/zinc/87/35/72/720873572.db2.gz OPVGWKRSZNWISO-ZJSXRUAMSA-N 1 1 437.975 3.757 20 30 IHEDMO CSc1nc(-c2ccccc2)nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1C#N ZINC001164784075 721417198 /nfs/dbraw/zinc/41/71/98/721417198.db2.gz KFXBXJNMVZIOJU-IRXDYDNUSA-N 1 1 434.594 3.762 20 30 IHEDMO N#Cc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)cc1 ZINC001164784190 721437229 /nfs/dbraw/zinc/43/72/29/721437229.db2.gz KTAYWJWSFMXMEC-HOTGVXAUSA-N 1 1 438.944 3.819 20 30 IHEDMO N#Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164790377 721437277 /nfs/dbraw/zinc/43/72/77/721437277.db2.gz XSTRPZQZHPSGAV-HZPDHXFCSA-N 1 1 438.944 3.819 20 30 IHEDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(C#N)c5cc(Cl)ccc5n4)C3)O2)CC1 ZINC001164897929 721445458 /nfs/dbraw/zinc/44/54/58/721445458.db2.gz VDXFBSMPEGITCG-RDPSFJRHSA-N 1 1 439.991 3.525 20 30 IHEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(CC#N)cc1Cl)CC2 ZINC001164791316 721470152 /nfs/dbraw/zinc/47/01/52/721470152.db2.gz WZFRGGJDGDQKKK-HXUWFJFHSA-N 1 1 432.996 3.535 20 30 IHEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3c(c1C#N)CCCC3)CC2 ZINC001164788762 721473530 /nfs/dbraw/zinc/47/35/30/721473530.db2.gz JUCKZDSVXMAJBR-QFIPXVFZSA-N 1 1 438.616 3.566 20 30 IHEDMO Cc1c(Cl)c(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1C#N ZINC001164809652 721538535 /nfs/dbraw/zinc/53/85/35/721538535.db2.gz VVAGDHGWGJKBMB-ZIFCJYIRSA-N 1 1 432.355 3.832 20 30 IHEDMO Cc1c(Cl)c(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1C#N ZINC001164809652 721538540 /nfs/dbraw/zinc/53/85/40/721538540.db2.gz VVAGDHGWGJKBMB-ZIFCJYIRSA-N 1 1 432.355 3.832 20 30 IHEDMO CSc1nc(Cl)c(C#N)c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165017793 721798771 /nfs/dbraw/zinc/79/87/71/721798771.db2.gz ARFQIXWLULLEAI-BMGDILEWSA-N 1 1 428.993 3.855 20 30 IHEDMO CSc1nc(Cl)c(C#N)c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165017797 721798848 /nfs/dbraw/zinc/79/88/48/721798848.db2.gz ARFQIXWLULLEAI-QGTPRVQTSA-N 1 1 428.993 3.855 20 30 IHEDMO CSc1nc(Cl)c(C=NO)c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165026300 721806644 /nfs/dbraw/zinc/80/66/44/721806644.db2.gz QLWGSWXANMYKHW-BMGDILEWSA-N 1 1 447.008 3.792 20 30 IHEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979232 722102559 /nfs/dbraw/zinc/10/25/59/722102559.db2.gz HNGLIEIOPUBXST-RDGATRHJSA-N 1 1 443.526 3.882 20 30 IHEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164649760 719313132 /nfs/dbraw/zinc/31/31/32/719313132.db2.gz SKARXNYWJKKLST-IBGZPJMESA-N 1 1 433.535 3.673 20 30 IHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)C2 ZINC001164813061 720172605 /nfs/dbraw/zinc/17/26/05/720172605.db2.gz CMACLGVJXHXUDK-IGKIAQTJSA-N 1 1 446.595 3.911 20 30 IHEDMO 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 720511252 /nfs/dbraw/zinc/51/12/52/720511252.db2.gz XYNKNAXQUYRBSG-SQNIBIBYSA-N 1 1 434.922 3.726 20 30 IHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc(Cl)nc3C#N)CC[C@@H]21 ZINC001164834169 720527034 /nfs/dbraw/zinc/52/70/34/720527034.db2.gz CLUPLCOVPUNHGI-BXWFABGCSA-N 1 1 434.922 3.726 20 30 IHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3C#N)CC[C@@H]21 ZINC001164834155 720551319 /nfs/dbraw/zinc/55/13/19/720551319.db2.gz CKSNSXVFMRESIY-AYBZRNKSSA-N 1 1 434.922 3.726 20 30 IHEDMO CC1(C)CCCc2cc(C#N)c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164744666 720859994 /nfs/dbraw/zinc/85/99/94/720859994.db2.gz CEPTZVFBBFAJEL-DNVJHFABSA-N 1 1 445.615 3.538 20 30 IHEDMO N#Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164753272 720873672 /nfs/dbraw/zinc/87/36/72/720873672.db2.gz OPVGWKRSZNWISO-XUZZJYLKSA-N 1 1 437.975 3.757 20 30 IHEDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccc(F)cc5)ccc4C#N)C3)O2)CC1 ZINC001164888632 721386010 /nfs/dbraw/zinc/38/60/10/721386010.db2.gz KPDSZWUWLJZQDQ-JYFHCDHNSA-N 1 1 449.574 3.525 20 30 IHEDMO C[N@@H+](Cc1ccc(N2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)nc1)C1CC1 ZINC001165005619 722259115 /nfs/dbraw/zinc/25/91/15/722259115.db2.gz YNGKYPXMQSMWRR-SANMLTNESA-N 1 1 431.584 3.671 20 30 IHEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164628390 719098816 /nfs/dbraw/zinc/09/88/16/719098816.db2.gz MOPGOHFOOQAZKV-TXTKFYIRSA-N 1 1 441.535 3.511 20 30 IHEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(F)cc1C#N)CC2 ZINC001164711550 720095820 /nfs/dbraw/zinc/09/58/20/720095820.db2.gz QRBTYOVOHARQLO-SFHVURJKSA-N 1 1 429.927 3.648 20 30 IHEDMO 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 720548774 /nfs/dbraw/zinc/54/87/74/720548774.db2.gz UKTJGBBLJQBTAS-NEWSRXKRSA-N 1 1 434.922 3.726 20 30 IHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)ncc3C#N)CC[C@@H]21 ZINC001164834158 720551331 /nfs/dbraw/zinc/55/13/31/720551331.db2.gz CKSNSXVFMRESIY-IEZWGBDMSA-N 1 1 434.922 3.726 20 30 IHEDMO 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 720578040 /nfs/dbraw/zinc/57/80/40/720578040.db2.gz VDUQZRHNOJGUKX-RCZSKKKRSA-N 1 1 449.603 3.512 20 30 IHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4ccncc4)ccc3C#N)CC[C@@H]21 ZINC001164836628 720595468 /nfs/dbraw/zinc/59/54/68/720595468.db2.gz GAFJTASXTOOJIH-FIXSFTCYSA-N 1 1 427.556 3.590 20 30 IHEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)c(Cl)c(C)c1C#N)CC2 ZINC001164783273 721451326 /nfs/dbraw/zinc/45/13/26/721451326.db2.gz BAEMJNVRBDRRQQ-FQEVSTJZSA-N 1 1 447.023 3.957 20 30 IHEDMO CCOC(=O)c1cc(C)nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1C#N ZINC001164792479 721492836 /nfs/dbraw/zinc/49/28/36/721492836.db2.gz PGZHBZQBDKJQTK-UHFFFAOYSA-N 1 1 433.556 3.714 20 30 IHEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccs3)ccc2C#N)[C@@H]2CCCO[C@H]12 ZINC001164809604 721580295 /nfs/dbraw/zinc/58/02/95/721580295.db2.gz UCYRYYAIGGOCKX-XPNTWCBSSA-N 1 1 431.565 3.945 20 30 IHEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccs3)ccc2C#N)[C@@H]2CCCO[C@H]12 ZINC001164809604 721580297 /nfs/dbraw/zinc/58/02/97/721580297.db2.gz UCYRYYAIGGOCKX-XPNTWCBSSA-N 1 1 431.565 3.945 20 30 IHEDMO CSc1nc(Cl)c(C#N)c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164937617 721920455 /nfs/dbraw/zinc/92/04/55/721920455.db2.gz FJJOGMXPSWETMP-UHFFFAOYSA-N 1 1 444.004 3.903 20 30 IHEDMO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955236 722020201 /nfs/dbraw/zinc/02/02/01/722020201.db2.gz BDRQFOOAPJFKHZ-UHFFFAOYSA-N 1 1 432.572 3.825 20 30 IHEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164964482 722056572 /nfs/dbraw/zinc/05/65/72/722056572.db2.gz VCZJFJNFBNVPKL-UHFFFAOYSA-N 1 1 447.917 3.666 20 30 IHEDMO N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c(Cl)nn2)cc1 ZINC001164968188 722077732 /nfs/dbraw/zinc/07/77/32/722077732.db2.gz VHHFHNLULLOMSM-HDICACEKSA-N 1 1 445.901 3.513 20 30 IHEDMO N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c(Cl)nn2)cc1 ZINC001164968188 722077733 /nfs/dbraw/zinc/07/77/33/722077733.db2.gz VHHFHNLULLOMSM-HDICACEKSA-N 1 1 445.901 3.513 20 30 IHEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979235 722102462 /nfs/dbraw/zinc/10/24/62/722102462.db2.gz HNGLIEIOPUBXST-WIOPSUGQSA-N 1 1 443.526 3.882 20 30 IHEDMO