smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)[C@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1ccc(F)c(F)c1 ZINC000187767633 823128667 /nfs/dbraw/zinc/12/86/67/823128667.db2.gz UYPOLACXBIGJDE-SFHVURJKSA-N 1 2 387.455 4.159 20 30 GIEDLO C=C(C)[C@@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1ccc(F)c(F)c1 ZINC000187767650 823129009 /nfs/dbraw/zinc/12/90/09/823129009.db2.gz UYPOLACXBIGJDE-GOSISDBHSA-N 1 2 387.455 4.159 20 30 GIEDLO C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000459390381 823180874 /nfs/dbraw/zinc/18/08/74/823180874.db2.gz IZSVOVXSBVPZHS-GFCCVEGCSA-N 1 2 379.338 4.258 20 30 GIEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000459462674 823197260 /nfs/dbraw/zinc/19/72/60/823197260.db2.gz KBDOUKOMDYXGQI-SMDDNHRTSA-N 1 2 395.315 4.337 20 30 GIEDLO C[C@@H](CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)Cn1cc[nH+]c1 ZINC000176405043 823201172 /nfs/dbraw/zinc/20/11/72/823201172.db2.gz YDDGCURXUZCXKV-HNNXBMFYSA-N 1 2 394.862 4.267 20 30 GIEDLO Cc1ccc2nc(-c3ccc(NC(=O)C[NH2+][C@H]4CCC[C@H]4C#N)cc3)sc2c1 ZINC000459471140 823199136 /nfs/dbraw/zinc/19/91/36/823199136.db2.gz VGCZLQBSTYWHNL-WMZOPIPTSA-N 1 2 390.512 4.492 20 30 GIEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000056750700 823206900 /nfs/dbraw/zinc/20/69/00/823206900.db2.gz QNZGFEJBZOWLSN-CQSZACIVSA-N 1 2 395.850 4.411 20 30 GIEDLO C=CCN(Cc1ccccc1F)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000056832160 823220360 /nfs/dbraw/zinc/22/03/60/823220360.db2.gz PVYICSJAQUEDKH-UHFFFAOYSA-N 1 2 392.478 4.011 20 30 GIEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056894520 823229328 /nfs/dbraw/zinc/22/93/28/823229328.db2.gz VAWDNQZSDNMGNR-UHFFFAOYSA-N 1 2 386.908 4.485 20 30 GIEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000007740227 817905655 /nfs/dbraw/zinc/90/56/55/817905655.db2.gz UBOKHQYBKZQRFD-IBGZPJMESA-N 1 2 399.878 4.004 20 30 GIEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000007740227 817905660 /nfs/dbraw/zinc/90/56/60/817905660.db2.gz UBOKHQYBKZQRFD-IBGZPJMESA-N 1 2 399.878 4.004 20 30 GIEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008262326 818026459 /nfs/dbraw/zinc/02/64/59/818026459.db2.gz ZHQIVZILIKBUOE-AWEZNQCLSA-N 1 2 382.514 4.048 20 30 GIEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008262326 818026468 /nfs/dbraw/zinc/02/64/68/818026468.db2.gz ZHQIVZILIKBUOE-AWEZNQCLSA-N 1 2 382.514 4.048 20 30 GIEDLO COc1cccc(C2CC[NH+](CC(=O)Nc3sc(C)c(C)c3C#N)CC2)c1 ZINC000177086258 823367613 /nfs/dbraw/zinc/36/76/13/823367613.db2.gz GDJZYUKSLJVZEK-UHFFFAOYSA-N 1 2 383.517 4.063 20 30 GIEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000122953603 823439295 /nfs/dbraw/zinc/43/92/95/823439295.db2.gz NJUJDMNOCUTWNM-UHFFFAOYSA-N 1 2 389.459 4.410 20 30 GIEDLO N#Cc1ccccc1N(Cc1ccco1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000410283445 823447929 /nfs/dbraw/zinc/44/79/29/823447929.db2.gz GHDSHHOSJJZQLO-UHFFFAOYSA-N 1 2 382.423 4.243 20 30 GIEDLO N#Cc1csc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000177469975 823470001 /nfs/dbraw/zinc/47/00/01/823470001.db2.gz NMOQYYZCVARQCK-UHFFFAOYSA-N 1 2 394.327 4.321 20 30 GIEDLO C=CCOCC[N@@H+]1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000573427074 823491858 /nfs/dbraw/zinc/49/18/58/823491858.db2.gz CGNFTEYOVVQGMJ-HNNXBMFYSA-N 1 2 383.332 4.300 20 30 GIEDLO C=CCOCC[N@H+]1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000573427074 823491861 /nfs/dbraw/zinc/49/18/61/823491861.db2.gz CGNFTEYOVVQGMJ-HNNXBMFYSA-N 1 2 383.332 4.300 20 30 GIEDLO C=CC[N@H+](CC(=O)Nc1ccc(Br)cc1)Cc1ccc(OC)cc1 ZINC000059423165 823496060 /nfs/dbraw/zinc/49/60/60/823496060.db2.gz PWWFZJLWFPVNOZ-UHFFFAOYSA-N 1 2 389.293 4.084 20 30 GIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cc1)Cc1ccc(OC)cc1 ZINC000059423165 823496062 /nfs/dbraw/zinc/49/60/62/823496062.db2.gz PWWFZJLWFPVNOZ-UHFFFAOYSA-N 1 2 389.293 4.084 20 30 GIEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000180694593 821399385 /nfs/dbraw/zinc/39/93/85/821399385.db2.gz CANSUNLKPKYVPW-UHFFFAOYSA-N 1 2 393.434 4.457 20 30 GIEDLO N#Cc1ccc(-c2nnc(C[NH2+]C3(c4ccc(F)cc4F)CCCC3)o2)cc1 ZINC000181248808 821717848 /nfs/dbraw/zinc/71/78/48/821717848.db2.gz YFRFLMWPHSWMCJ-UHFFFAOYSA-N 1 2 380.398 4.446 20 30 GIEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc(C#N)c1C ZINC000178568258 822392420 /nfs/dbraw/zinc/39/24/20/822392420.db2.gz XCBGRBMEQNJPRJ-UHFFFAOYSA-N 1 2 377.492 4.032 20 30 GIEDLO C[N@H+](CC(=O)Nc1c(Cl)cccc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000046527994 822481398 /nfs/dbraw/zinc/48/13/98/822481398.db2.gz VDDVKVDYEBGXPD-UHFFFAOYSA-N 1 2 381.785 4.301 20 30 GIEDLO C[N@@H+](CC(=O)Nc1c(Cl)cccc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000046527994 822481401 /nfs/dbraw/zinc/48/14/01/822481401.db2.gz VDDVKVDYEBGXPD-UHFFFAOYSA-N 1 2 381.785 4.301 20 30 GIEDLO COc1ccc(-c2nc(C[N@H+](C)Cc3ccc(C#N)cc3)cs2)cc1OC ZINC000046527120 822481464 /nfs/dbraw/zinc/48/14/64/822481464.db2.gz AFGGCKSOPABNFE-UHFFFAOYSA-N 1 2 379.485 4.331 20 30 GIEDLO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccc(C#N)cc3)cs2)cc1OC ZINC000046527120 822481466 /nfs/dbraw/zinc/48/14/66/822481466.db2.gz AFGGCKSOPABNFE-UHFFFAOYSA-N 1 2 379.485 4.331 20 30 GIEDLO C[NH+](C)[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc(C(F)(F)F)c1 ZINC000183872794 822538986 /nfs/dbraw/zinc/53/89/86/822538986.db2.gz YVXTXYBVSUALKP-YJCKXXIQSA-N 1 2 381.354 4.041 20 30 GIEDLO Cn1cc(CNc2[nH+]c3cccc(Cl)c3n2C)c(-c2ccc(C#N)cc2)n1 ZINC000184311350 822612620 /nfs/dbraw/zinc/61/26/20/822612620.db2.gz XRNBXWZPHJAECB-UHFFFAOYSA-N 1 2 376.851 4.111 20 30 GIEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(C4(C#N)CC4)cc3)n2)C1 ZINC000180152733 822627934 /nfs/dbraw/zinc/62/79/34/822627934.db2.gz UQUAVOKFUGKKSX-HNNXBMFYSA-N 1 2 380.517 4.182 20 30 GIEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(C4(C#N)CC4)cc3)n2)C1 ZINC000180152733 822627935 /nfs/dbraw/zinc/62/79/35/822627935.db2.gz UQUAVOKFUGKKSX-HNNXBMFYSA-N 1 2 380.517 4.182 20 30 GIEDLO N#CCc1cccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000049732443 822706685 /nfs/dbraw/zinc/70/66/85/822706685.db2.gz IUNNWRGOXCBTJA-LJQANCHMSA-N 1 2 385.870 4.112 20 30 GIEDLO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)c1nccs1 ZINC000185091333 822735770 /nfs/dbraw/zinc/73/57/70/822735770.db2.gz ODCWEUHFJCYURV-SFHVURJKSA-N 1 2 393.516 4.102 20 30 GIEDLO N#Cc1ccsc1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000052031132 822788737 /nfs/dbraw/zinc/78/87/37/822788737.db2.gz NQRMQQYSKALHSJ-SFHVURJKSA-N 1 2 393.537 4.211 20 30 GIEDLO N#Cc1ccsc1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000052031132 822788738 /nfs/dbraw/zinc/78/87/38/822788738.db2.gz NQRMQQYSKALHSJ-SFHVURJKSA-N 1 2 393.537 4.211 20 30 GIEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000174528349 822801491 /nfs/dbraw/zinc/80/14/91/822801491.db2.gz NOYKLARWFCZINU-UHFFFAOYSA-N 1 2 397.910 4.377 20 30 GIEDLO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1nc(-c2cccc(F)c2)no1 ZINC000174665224 822820725 /nfs/dbraw/zinc/82/07/25/822820725.db2.gz ITAURJFNNIBVNV-OAHLLOKOSA-N 1 2 380.423 4.409 20 30 GIEDLO NC(=[NH+]OCc1ccc(C(F)F)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000185787212 822821150 /nfs/dbraw/zinc/82/11/50/822821150.db2.gz PTLLONOAFVUVES-UHFFFAOYSA-N 1 2 383.398 4.435 20 30 GIEDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H]1c1cccc(F)c1 ZINC000175150033 822892555 /nfs/dbraw/zinc/89/25/55/822892555.db2.gz HTSOICRJWBGNKD-BTYIYWSLSA-N 1 2 383.492 4.463 20 30 GIEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H]1c1cccc(F)c1 ZINC000175150033 822892558 /nfs/dbraw/zinc/89/25/58/822892558.db2.gz HTSOICRJWBGNKD-BTYIYWSLSA-N 1 2 383.492 4.463 20 30 GIEDLO C=CCOc1cccc(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000175594176 823003794 /nfs/dbraw/zinc/00/37/94/823003794.db2.gz AHQMCZSKYSQLLJ-UHFFFAOYSA-N 1 2 394.519 4.108 20 30 GIEDLO Cc1c[nH+]c2cc(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)ccn12 ZINC000570226444 823016776 /nfs/dbraw/zinc/01/67/76/823016776.db2.gz YDMOFBOIDMTYRD-ZDUSSCGKSA-N 1 2 386.377 4.216 20 30 GIEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000411734217 823600967 /nfs/dbraw/zinc/60/09/67/823600967.db2.gz SOWLMKNWNZCQAA-IBGZPJMESA-N 1 2 393.878 4.254 20 30 GIEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000411734217 823600968 /nfs/dbraw/zinc/60/09/68/823600968.db2.gz SOWLMKNWNZCQAA-IBGZPJMESA-N 1 2 393.878 4.254 20 30 GIEDLO C=CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)C(C)C)Cc1cccc(C#N)c1 ZINC000063299853 823660962 /nfs/dbraw/zinc/66/09/62/823660962.db2.gz MHVGIXQCCGLPPN-QHCPKHFHSA-N 1 2 375.516 4.102 20 30 GIEDLO C=CC[N@H+](CC(=O)NC[C@H](c1ccccc1)C(C)C)Cc1cccc(C#N)c1 ZINC000063299853 823660963 /nfs/dbraw/zinc/66/09/63/823660963.db2.gz MHVGIXQCCGLPPN-QHCPKHFHSA-N 1 2 375.516 4.102 20 30 GIEDLO C=CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1cccc(C#N)c1 ZINC000063300824 823661069 /nfs/dbraw/zinc/66/10/69/823661069.db2.gz YVTQSLDCCAPQGN-UHFFFAOYSA-N 1 2 386.499 4.110 20 30 GIEDLO C=CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1cccc(C#N)c1 ZINC000063300824 823661071 /nfs/dbraw/zinc/66/10/71/823661071.db2.gz YVTQSLDCCAPQGN-UHFFFAOYSA-N 1 2 386.499 4.110 20 30 GIEDLO Cc1nc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(Cl)cc1C#N ZINC000461933307 823764140 /nfs/dbraw/zinc/76/41/40/823764140.db2.gz DWFRGMUVKJRGSD-QZTJIDSGSA-N 1 2 391.302 4.052 20 30 GIEDLO Cc1nc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(Cl)cc1C#N ZINC000461933307 823764149 /nfs/dbraw/zinc/76/41/49/823764149.db2.gz DWFRGMUVKJRGSD-QZTJIDSGSA-N 1 2 391.302 4.052 20 30 GIEDLO COc1cc(F)c([C@H](C)[NH2+]Cc2cc(C#N)ccc2Br)cc1OC ZINC000191821075 823782307 /nfs/dbraw/zinc/78/23/07/823782307.db2.gz YPGQHRJWICGXRE-NSHDSACASA-N 1 2 393.256 4.328 20 30 GIEDLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C#N)c(F)c1 ZINC000191894230 823805636 /nfs/dbraw/zinc/80/56/36/823805636.db2.gz QKBZKZOFMFNVMA-UHFFFAOYSA-N 1 2 380.250 4.465 20 30 GIEDLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C#N)c(F)c1 ZINC000191894230 823805643 /nfs/dbraw/zinc/80/56/43/823805643.db2.gz QKBZKZOFMFNVMA-UHFFFAOYSA-N 1 2 380.250 4.465 20 30 GIEDLO N#CC1CCN(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000170884231 824000131 /nfs/dbraw/zinc/00/01/31/824000131.db2.gz AXCLCNDERKJLDN-UHFFFAOYSA-N 1 2 399.498 4.044 20 30 GIEDLO C=C(C)[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000570975891 823114150 /nfs/dbraw/zinc/11/41/50/823114150.db2.gz LTVJRCFZSIZUNE-NRFANRHFSA-N 1 2 396.441 4.326 20 30 GIEDLO N#CCc1ccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(Cl)c1 ZINC000571020573 823121066 /nfs/dbraw/zinc/12/10/66/823121066.db2.gz KRSRXFXHJKNGPG-UHFFFAOYSA-N 1 2 397.910 4.350 20 30 GIEDLO C=CCOc1c(Br)cc(C[N@H+](C)CC(C)(C)C#N)cc1OCC ZINC000571188715 823145706 /nfs/dbraw/zinc/14/57/06/823145706.db2.gz YNUYRKLNUJXEDT-UHFFFAOYSA-N 1 2 381.314 4.394 20 30 GIEDLO C=CCOc1c(Br)cc(C[N@@H+](C)CC(C)(C)C#N)cc1OCC ZINC000571188715 823145710 /nfs/dbraw/zinc/14/57/10/823145710.db2.gz YNUYRKLNUJXEDT-UHFFFAOYSA-N 1 2 381.314 4.394 20 30 GIEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000056664874 823192598 /nfs/dbraw/zinc/19/25/98/823192598.db2.gz YQRDFZJYOCQEAV-MRXNPFEDSA-N 1 2 375.432 4.066 20 30 GIEDLO C[C@H](CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)Cn1cc[nH+]c1 ZINC000176392055 823197229 /nfs/dbraw/zinc/19/72/29/823197229.db2.gz GCZZKGNPCUQWHO-OAHLLOKOSA-N 1 2 394.862 4.267 20 30 GIEDLO CCCCn1c(SCc2cc(F)ccc2C#N)nnc1[C@@H](CC)[NH+](C)C ZINC000122343883 823341210 /nfs/dbraw/zinc/34/12/10/823341210.db2.gz WHHUQBWWJAEFND-QGZVFWFLSA-N 1 2 375.517 4.394 20 30 GIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000058013902 823354766 /nfs/dbraw/zinc/35/47/66/823354766.db2.gz XEVZVQSEMZQTGF-UHFFFAOYSA-N 1 2 386.517 4.052 20 30 GIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000058013902 823354771 /nfs/dbraw/zinc/35/47/71/823354771.db2.gz XEVZVQSEMZQTGF-UHFFFAOYSA-N 1 2 386.517 4.052 20 30 GIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)Cc2ccsc2)c1C#N ZINC000021672157 818723945 /nfs/dbraw/zinc/72/39/45/818723945.db2.gz GIWIEGINYHKERK-UHFFFAOYSA-N 1 2 396.491 4.237 20 30 GIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)Cc2ccsc2)c1C#N ZINC000021672157 818723950 /nfs/dbraw/zinc/72/39/50/818723950.db2.gz GIWIEGINYHKERK-UHFFFAOYSA-N 1 2 396.491 4.237 20 30 GIEDLO C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000122795937 823413671 /nfs/dbraw/zinc/41/36/71/823413671.db2.gz ZLDQKMGKXBZNOC-SSKFGXFMSA-N 1 2 385.471 4.044 20 30 GIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1C#N ZINC000026329574 820084737 /nfs/dbraw/zinc/08/47/37/820084737.db2.gz OSEILTZZNDUECM-UHFFFAOYSA-N 1 2 389.503 4.034 20 30 GIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1C#N ZINC000026329574 820084745 /nfs/dbraw/zinc/08/47/45/820084745.db2.gz OSEILTZZNDUECM-UHFFFAOYSA-N 1 2 389.503 4.034 20 30 GIEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(C#N)c1C ZINC000042132510 821272287 /nfs/dbraw/zinc/27/22/87/821272287.db2.gz UBHJWCYJKGMSDQ-ZBFHGGJFSA-N 1 2 392.459 4.116 20 30 GIEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(C#N)c1C ZINC000042132510 821272293 /nfs/dbraw/zinc/27/22/93/821272293.db2.gz UBHJWCYJKGMSDQ-ZBFHGGJFSA-N 1 2 392.459 4.116 20 30 GIEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181486165 821847472 /nfs/dbraw/zinc/84/74/72/821847472.db2.gz KRLWHCUCRAVINX-UHFFFAOYSA-N 1 2 388.515 4.015 20 30 GIEDLO N#Cc1ccsc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181498332 821854845 /nfs/dbraw/zinc/85/48/45/821854845.db2.gz ZPZSAUKDRJQIPI-UHFFFAOYSA-N 1 2 394.327 4.321 20 30 GIEDLO C=C(C)Cn1c(SCc2cn3cc(C)ccc3[nH+]2)nnc1-c1ccncc1 ZINC000178289607 822363893 /nfs/dbraw/zinc/36/38/93/822363893.db2.gz MMCMYOQTGLKLCO-UHFFFAOYSA-N 1 2 376.489 4.165 20 30 GIEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2csc(-c3cccs3)n2)CC1 ZINC000046086572 822440612 /nfs/dbraw/zinc/44/06/12/822440612.db2.gz NITLCPJGHWMQFM-UHFFFAOYSA-N 1 2 380.542 4.456 20 30 GIEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2csc(-c3cccs3)n2)CC1 ZINC000046086572 822440616 /nfs/dbraw/zinc/44/06/16/822440616.db2.gz NITLCPJGHWMQFM-UHFFFAOYSA-N 1 2 380.542 4.456 20 30 GIEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000046086381 822440677 /nfs/dbraw/zinc/44/06/77/822440677.db2.gz NMKCDSXDWWTKAH-UHFFFAOYSA-N 1 2 381.430 4.015 20 30 GIEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000046086381 822440680 /nfs/dbraw/zinc/44/06/80/822440680.db2.gz NMKCDSXDWWTKAH-UHFFFAOYSA-N 1 2 381.430 4.015 20 30 GIEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179681721 822526242 /nfs/dbraw/zinc/52/62/42/822526242.db2.gz QDLJBAWNESWTFE-OALUTQOASA-N 1 2 386.858 4.112 20 30 GIEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179681721 822526244 /nfs/dbraw/zinc/52/62/44/822526244.db2.gz QDLJBAWNESWTFE-OALUTQOASA-N 1 2 386.858 4.112 20 30 GIEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cs1 ZINC000184689705 822677261 /nfs/dbraw/zinc/67/72/61/822677261.db2.gz DUHGZBDJBYVPNT-UONOGXRCSA-N 1 2 388.562 4.389 20 30 GIEDLO CCSCc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000455862854 822739070 /nfs/dbraw/zinc/73/90/70/822739070.db2.gz OSVLNXJQJYBSEI-UHFFFAOYSA-N 1 2 394.544 4.161 20 30 GIEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000456006318 822765432 /nfs/dbraw/zinc/76/54/32/822765432.db2.gz MBWUMPWBTLKSRF-UHFFFAOYSA-N 1 2 378.520 4.042 20 30 GIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000053399650 822832925 /nfs/dbraw/zinc/83/29/25/822832925.db2.gz NDHCXOMLPOPBAX-INIZCTEOSA-N 1 2 379.909 4.032 20 30 GIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000053399650 822832926 /nfs/dbraw/zinc/83/29/26/822832926.db2.gz NDHCXOMLPOPBAX-INIZCTEOSA-N 1 2 379.909 4.032 20 30 GIEDLO COc1c(Br)cc(C[N@H+](C)CC(C)(C)C#N)cc1Br ZINC000569088508 822878991 /nfs/dbraw/zinc/87/89/91/822878991.db2.gz FBASSEQXLFKZKH-UHFFFAOYSA-N 1 2 390.119 4.202 20 30 GIEDLO COc1c(Br)cc(C[N@@H+](C)CC(C)(C)C#N)cc1Br ZINC000569088508 822878997 /nfs/dbraw/zinc/87/89/97/822878997.db2.gz FBASSEQXLFKZKH-UHFFFAOYSA-N 1 2 390.119 4.202 20 30 GIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000411134871 823550900 /nfs/dbraw/zinc/55/09/00/823550900.db2.gz KNUORUHXYXERGC-KRWDZBQOSA-N 1 2 383.517 4.080 20 30 GIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000411134871 823550904 /nfs/dbraw/zinc/55/09/04/823550904.db2.gz KNUORUHXYXERGC-KRWDZBQOSA-N 1 2 383.517 4.080 20 30 GIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000411140266 823551168 /nfs/dbraw/zinc/55/11/68/823551168.db2.gz SWJBNJCPCAJODE-KRWDZBQOSA-N 1 2 399.560 4.245 20 30 GIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000411140266 823551170 /nfs/dbraw/zinc/55/11/70/823551170.db2.gz SWJBNJCPCAJODE-KRWDZBQOSA-N 1 2 399.560 4.245 20 30 GIEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccccc1Br)Cc1cccs1 ZINC000060942781 823568275 /nfs/dbraw/zinc/56/82/75/823568275.db2.gz YPOHLNVQOWTLMO-UHFFFAOYSA-N 1 2 393.350 4.157 20 30 GIEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccccc1Br)Cc1cccs1 ZINC000060942781 823568278 /nfs/dbraw/zinc/56/82/78/823568278.db2.gz YPOHLNVQOWTLMO-UHFFFAOYSA-N 1 2 393.350 4.157 20 30 GIEDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cc(C#N)ccc1Br ZINC000191839647 823792963 /nfs/dbraw/zinc/79/29/63/823792963.db2.gz PKUGDTMTWKCZTI-UHFFFAOYSA-N 1 2 383.293 4.232 20 30 GIEDLO C=CCc1cc(C[N@@H+](C)Cc2csc([C@H](C)OCC)n2)c(O)c(OC)c1 ZINC000164414220 823801671 /nfs/dbraw/zinc/80/16/71/823801671.db2.gz KRXMPMJECZMPBW-AWEZNQCLSA-N 1 2 376.522 4.315 20 30 GIEDLO C=CCc1cc(C[N@H+](C)Cc2csc([C@H](C)OCC)n2)c(O)c(OC)c1 ZINC000164414220 823801681 /nfs/dbraw/zinc/80/16/81/823801681.db2.gz KRXMPMJECZMPBW-AWEZNQCLSA-N 1 2 376.522 4.315 20 30 GIEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000462037938 823806355 /nfs/dbraw/zinc/80/63/55/823806355.db2.gz JKWGPBQBPMFPSX-JOCHJYFZSA-N 1 2 398.466 4.267 20 30 GIEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000462037938 823806367 /nfs/dbraw/zinc/80/63/67/823806367.db2.gz JKWGPBQBPMFPSX-JOCHJYFZSA-N 1 2 398.466 4.267 20 30 GIEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1cccc(C#N)c1 ZINC000462071045 823819180 /nfs/dbraw/zinc/81/91/80/823819180.db2.gz MWZYFFRHXBHTLW-FOIQADDNSA-N 1 2 399.897 4.235 20 30 GIEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1cccc(C#N)c1 ZINC000462071045 823819188 /nfs/dbraw/zinc/81/91/88/823819188.db2.gz MWZYFFRHXBHTLW-FOIQADDNSA-N 1 2 399.897 4.235 20 30 GIEDLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1cccc(C#N)c1 ZINC000462071047 823819207 /nfs/dbraw/zinc/81/92/07/823819207.db2.gz MWZYFFRHXBHTLW-QRWLVFNGSA-N 1 2 399.897 4.235 20 30 GIEDLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1cccc(C#N)c1 ZINC000462071047 823819210 /nfs/dbraw/zinc/81/92/10/823819210.db2.gz MWZYFFRHXBHTLW-QRWLVFNGSA-N 1 2 399.897 4.235 20 30 GIEDLO Cc1cc([C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2ccccc2Cl)ccc1F ZINC000462175888 823854768 /nfs/dbraw/zinc/85/47/68/823854768.db2.gz LBSLPVLBJYKNSX-VXKWHMMOSA-N 1 2 399.897 4.275 20 30 GIEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000462247000 823895830 /nfs/dbraw/zinc/89/58/30/823895830.db2.gz MUPYJTNEJPWCGC-JOCHJYFZSA-N 1 2 384.907 4.228 20 30 GIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000170983487 824027286 /nfs/dbraw/zinc/02/72/86/824027286.db2.gz DORMANLMIIRRNX-QFBILLFUSA-N 1 2 382.533 4.195 20 30 GIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000170983487 824027291 /nfs/dbraw/zinc/02/72/91/824027291.db2.gz DORMANLMIIRRNX-QFBILLFUSA-N 1 2 382.533 4.195 20 30 GIEDLO Cc1cccc2c1CC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)C2 ZINC000170987592 824028575 /nfs/dbraw/zinc/02/85/75/824028575.db2.gz HAEMFYPYXRWCHN-MRXNPFEDSA-N 1 2 379.529 4.244 20 30 GIEDLO Cc1cccc2c1CC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)C2 ZINC000170987592 824028581 /nfs/dbraw/zinc/02/85/81/824028581.db2.gz HAEMFYPYXRWCHN-MRXNPFEDSA-N 1 2 379.529 4.244 20 30 GIEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000171055074 824049633 /nfs/dbraw/zinc/04/96/33/824049633.db2.gz BYKQTILAZJZFBN-UHFFFAOYSA-N 1 2 386.858 4.091 20 30 GIEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000171055074 824049638 /nfs/dbraw/zinc/04/96/38/824049638.db2.gz BYKQTILAZJZFBN-UHFFFAOYSA-N 1 2 386.858 4.091 20 30 GIEDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000571097440 823131792 /nfs/dbraw/zinc/13/17/92/823131792.db2.gz MJLXAKPTSIKOOS-UHFFFAOYSA-N 1 2 391.393 4.046 20 30 GIEDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000571097440 823131794 /nfs/dbraw/zinc/13/17/94/823131794.db2.gz MJLXAKPTSIKOOS-UHFFFAOYSA-N 1 2 391.393 4.046 20 30 GIEDLO CC[C@H](C)Oc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000056758641 823207992 /nfs/dbraw/zinc/20/79/92/823207992.db2.gz HBDSCQRAFFXXMY-SFHVURJKSA-N 1 2 392.503 4.085 20 30 GIEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000057083961 823247809 /nfs/dbraw/zinc/24/78/09/823247809.db2.gz MPTHIEODECDNGO-UHFFFAOYSA-N 1 2 395.422 4.492 20 30 GIEDLO C[C@@H](c1nnc(SCc2ccc(C#N)cc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000004490897 817527354 /nfs/dbraw/zinc/52/73/54/817527354.db2.gz RLRFOPQAQOPGBH-AWEZNQCLSA-N 1 2 381.480 4.193 20 30 GIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(Cl)s2)c1 ZINC000015294259 818307604 /nfs/dbraw/zinc/30/76/04/818307604.db2.gz LDFGEGSFPGKWJE-UHFFFAOYSA-N 1 2 375.925 4.397 20 30 GIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(Cl)s2)c1 ZINC000015294259 818307616 /nfs/dbraw/zinc/30/76/16/818307616.db2.gz LDFGEGSFPGKWJE-UHFFFAOYSA-N 1 2 375.925 4.397 20 30 GIEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000177328552 823435473 /nfs/dbraw/zinc/43/54/73/823435473.db2.gz GBADMCWEMNMZPN-UHFFFAOYSA-N 1 2 391.490 4.101 20 30 GIEDLO Cc1nc(-c2cccc(NC(=O)C[N@@H+](C)Cc3cccc(C#N)c3)c2)cs1 ZINC000026326006 820084278 /nfs/dbraw/zinc/08/42/78/820084278.db2.gz TZLOUYKVVDHHOJ-UHFFFAOYSA-N 1 2 376.485 4.061 20 30 GIEDLO Cc1nc(-c2cccc(NC(=O)C[N@H+](C)Cc3cccc(C#N)c3)c2)cs1 ZINC000026326006 820084293 /nfs/dbraw/zinc/08/42/93/820084293.db2.gz TZLOUYKVVDHHOJ-UHFFFAOYSA-N 1 2 376.485 4.061 20 30 GIEDLO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c(C)c1 ZINC000026640124 820126322 /nfs/dbraw/zinc/12/63/22/820126322.db2.gz JOTWWJZZNOZXDO-SFHVURJKSA-N 1 2 389.499 4.097 20 30 GIEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(Cl)s2)cc1C ZINC000029054788 820387562 /nfs/dbraw/zinc/38/75/62/820387562.db2.gz FUGDIBNACPRXHK-UHFFFAOYSA-N 1 2 375.925 4.397 20 30 GIEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(Cl)s2)cc1C ZINC000029054788 820387573 /nfs/dbraw/zinc/38/75/73/820387573.db2.gz FUGDIBNACPRXHK-UHFFFAOYSA-N 1 2 375.925 4.397 20 30 GIEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000042133564 821273122 /nfs/dbraw/zinc/27/31/22/821273122.db2.gz BLGNMERLEVEEID-UHFFFAOYSA-N 1 2 396.853 4.328 20 30 GIEDLO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ncc(-c2ccccc2)o1 ZINC000182728029 822358464 /nfs/dbraw/zinc/35/84/64/822358464.db2.gz PFNWBVALTIGTGZ-OXQOHEQNSA-N 1 2 386.455 4.059 20 30 GIEDLO N#Cc1ccccc1-c1ccccc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000047123405 822545728 /nfs/dbraw/zinc/54/57/28/822545728.db2.gz XQQAPDNFVCQYGG-UHFFFAOYSA-N 1 2 382.467 4.019 20 30 GIEDLO CCC[N@H+](Cc1nc(COc2ccc(F)cc2)no1)Cc1ccc(C#N)cc1 ZINC000047740709 822605549 /nfs/dbraw/zinc/60/55/49/822605549.db2.gz SIYMBSJEYWYKOS-UHFFFAOYSA-N 1 2 380.423 4.072 20 30 GIEDLO CCC[N@@H+](Cc1nc(COc2ccc(F)cc2)no1)Cc1ccc(C#N)cc1 ZINC000047740709 822605551 /nfs/dbraw/zinc/60/55/51/822605551.db2.gz SIYMBSJEYWYKOS-UHFFFAOYSA-N 1 2 380.423 4.072 20 30 GIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](Cc2ccccn2)C(C)C)c1C#N ZINC000048273341 822650668 /nfs/dbraw/zinc/65/06/68/822650668.db2.gz IXFHXHWVNFWZDA-UHFFFAOYSA-N 1 2 393.535 4.336 20 30 GIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](Cc2ccccn2)C(C)C)c1C#N ZINC000048273341 822650673 /nfs/dbraw/zinc/65/06/73/822650673.db2.gz IXFHXHWVNFWZDA-UHFFFAOYSA-N 1 2 393.535 4.336 20 30 GIEDLO Cn1cc([C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c2ccc(F)cc2)cn1 ZINC000184580107 822660842 /nfs/dbraw/zinc/66/08/42/822660842.db2.gz SZFRCFGSVGBOJO-FQEVSTJZSA-N 1 2 387.380 4.309 20 30 GIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000180310223 822661288 /nfs/dbraw/zinc/66/12/88/822661288.db2.gz YGYQFLQGRKSKSI-SDNWHVSQSA-N 1 2 397.434 4.248 20 30 GIEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)cs1 ZINC000184710047 822680319 /nfs/dbraw/zinc/68/03/19/822680319.db2.gz AFSICXXQYJNHGV-ZIAGYGMSSA-N 1 2 388.562 4.247 20 30 GIEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000180517427 822694982 /nfs/dbraw/zinc/69/49/82/822694982.db2.gz DOEPIMVWUNTIOI-KSSFIOAISA-N 1 2 397.548 4.054 20 30 GIEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000180517427 822694985 /nfs/dbraw/zinc/69/49/85/822694985.db2.gz DOEPIMVWUNTIOI-KSSFIOAISA-N 1 2 397.548 4.054 20 30 GIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455740276 822717915 /nfs/dbraw/zinc/71/79/15/822717915.db2.gz XZRQKMVHQZSYAI-AWEZNQCLSA-N 1 2 388.924 4.378 20 30 GIEDLO C[C@H]1CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000455770908 822723448 /nfs/dbraw/zinc/72/34/48/822723448.db2.gz MYLPBYPEMRAFPB-MAUKXSAKSA-N 1 2 381.480 4.047 20 30 GIEDLO Cc1ccc(-c2nc(C[N@@H+]3CCCN(c4ccccc4C#N)CC3)cs2)o1 ZINC000051852324 822780388 /nfs/dbraw/zinc/78/03/88/822780388.db2.gz ZHRIFYDSBFVUSR-UHFFFAOYSA-N 1 2 378.501 4.296 20 30 GIEDLO Cc1ccc(-c2nc(C[N@H+]3CCCN(c4ccccc4C#N)CC3)cs2)o1 ZINC000051852324 822780389 /nfs/dbraw/zinc/78/03/89/822780389.db2.gz ZHRIFYDSBFVUSR-UHFFFAOYSA-N 1 2 378.501 4.296 20 30 GIEDLO N#CCCn1cc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c(-c2ccccc2)n1 ZINC000185869365 822828796 /nfs/dbraw/zinc/82/87/96/822828796.db2.gz PZFOIADFYVFVJS-UHFFFAOYSA-N 1 2 394.482 4.211 20 30 GIEDLO OC1(c2c(F)cccc2F)CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000186500718 822905570 /nfs/dbraw/zinc/90/55/70/822905570.db2.gz BZFHDUQMNFLOGM-UHFFFAOYSA-N 1 2 395.371 4.319 20 30 GIEDLO C=CCOc1cccc(NC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000175591482 823003440 /nfs/dbraw/zinc/00/34/40/823003440.db2.gz XQZRZMUOLNEGLO-UHFFFAOYSA-N 1 2 394.519 4.417 20 30 GIEDLO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)cc1 ZINC000187108916 823011620 /nfs/dbraw/zinc/01/16/20/823011620.db2.gz FKEBPGAWUHRNNP-UHFFFAOYSA-N 1 2 381.907 4.049 20 30 GIEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000187210934 823025522 /nfs/dbraw/zinc/02/55/22/823025522.db2.gz RUFGJDOYOLRXJU-UHFFFAOYSA-N 1 2 379.891 4.013 20 30 GIEDLO C[C@H](c1nnc(SCc2cc(C#N)ccc2F)n1-c1ccc(F)cc1)[NH+](C)C ZINC000124166593 823573935 /nfs/dbraw/zinc/57/39/35/823573935.db2.gz IJRIAIDURPUQPF-CYBMUJFWSA-N 1 2 399.470 4.332 20 30 GIEDLO CCC[C@@H](CNC(=O)C[NH+]1CCC(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000061040398 823574960 /nfs/dbraw/zinc/57/49/60/823574960.db2.gz FATUFLMZDGKEPV-HNNXBMFYSA-N 1 2 382.335 4.229 20 30 GIEDLO C[C@H]1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000124908148 823635820 /nfs/dbraw/zinc/63/58/20/823635820.db2.gz NQGIIIYXIQPANX-HTAPYJJXSA-N 1 2 385.471 4.222 20 30 GIEDLO C[C@@H](C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000461903633 823746863 /nfs/dbraw/zinc/74/68/63/823746863.db2.gz VPTXFNFSRCUYAY-FOIQADDNSA-N 1 2 399.897 4.408 20 30 GIEDLO N#C[C@H]1CCC[C@@H]1NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000461963670 823774112 /nfs/dbraw/zinc/77/41/12/823774112.db2.gz IFHTUIPCYCWOFR-OFNKIYASSA-N 1 2 399.498 4.090 20 30 GIEDLO COC[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccc(F)c(F)c1 ZINC000191821905 823782918 /nfs/dbraw/zinc/78/29/18/823782918.db2.gz NNHPYZKPWJMCOA-KRWDZBQOSA-N 1 2 381.220 4.076 20 30 GIEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccccc2C(F)(F)F)cc1 ZINC000575117443 823916335 /nfs/dbraw/zinc/91/63/35/823916335.db2.gz OHRSNJLBNSVHAF-INIZCTEOSA-N 1 2 393.409 4.116 20 30 GIEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccccc2C(F)(F)F)cc1 ZINC000575117443 823916341 /nfs/dbraw/zinc/91/63/41/823916341.db2.gz OHRSNJLBNSVHAF-INIZCTEOSA-N 1 2 393.409 4.116 20 30 GIEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000055873684 823058102 /nfs/dbraw/zinc/05/81/02/823058102.db2.gz ZTDAWBQNYDXEGQ-NHCUHLMSSA-N 1 2 387.886 4.213 20 30 GIEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000459345787 823167159 /nfs/dbraw/zinc/16/71/59/823167159.db2.gz DGHKYDBOQJUUPB-UHFFFAOYSA-N 1 2 386.249 4.398 20 30 GIEDLO C[C@@H](CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)Cn1cc[nH+]c1 ZINC000176392039 823197344 /nfs/dbraw/zinc/19/73/44/823197344.db2.gz GCZZKGNPCUQWHO-HNNXBMFYSA-N 1 2 394.862 4.267 20 30 GIEDLO C[C@H](c1nnc(SCc2ccc(C#N)cc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000004490899 817527409 /nfs/dbraw/zinc/52/74/09/817527409.db2.gz RLRFOPQAQOPGBH-CQSZACIVSA-N 1 2 381.480 4.193 20 30 GIEDLO C=CCn1c(COc2ccccc2F)nn(C[N@@H+](C)[C@H](C)C2(C)CC2)c1=S ZINC000176833004 823304765 /nfs/dbraw/zinc/30/47/65/823304765.db2.gz YZQLZVHSJWAGSC-OAHLLOKOSA-N 1 2 390.528 4.396 20 30 GIEDLO C=CCn1c(COc2ccccc2F)nn(C[N@H+](C)[C@H](C)C2(C)CC2)c1=S ZINC000176833004 823304768 /nfs/dbraw/zinc/30/47/68/823304768.db2.gz YZQLZVHSJWAGSC-OAHLLOKOSA-N 1 2 390.528 4.396 20 30 GIEDLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000014923628 818276905 /nfs/dbraw/zinc/27/69/05/818276905.db2.gz FCZSYEPDUAUZEJ-OAHLLOKOSA-N 1 2 397.544 4.356 20 30 GIEDLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000014923628 818276908 /nfs/dbraw/zinc/27/69/08/818276908.db2.gz FCZSYEPDUAUZEJ-OAHLLOKOSA-N 1 2 397.544 4.356 20 30 GIEDLO N#CCC[C@@H](C#N)CN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000024096099 819022776 /nfs/dbraw/zinc/02/27/76/819022776.db2.gz BIRQOYUZWLMSNR-SFHVURJKSA-N 1 2 394.469 4.115 20 30 GIEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2sc(C)c(C)c2C#N)cc1OC ZINC000177174436 823391032 /nfs/dbraw/zinc/39/10/32/823391032.db2.gz LUPODZDOALYQSC-QGZVFWFLSA-N 1 2 399.516 4.029 20 30 GIEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2sc(C)c(C)c2C#N)cc1OC ZINC000177174436 823391040 /nfs/dbraw/zinc/39/10/40/823391040.db2.gz LUPODZDOALYQSC-QGZVFWFLSA-N 1 2 399.516 4.029 20 30 GIEDLO N#Cc1ccc(C[NH+]2CCN(Cc3csc(C4CCCCC4)n3)CC2)cc1 ZINC000058575245 823411672 /nfs/dbraw/zinc/41/16/72/823411672.db2.gz PUCYPAQPBXOURT-UHFFFAOYSA-N 1 2 380.561 4.380 20 30 GIEDLO N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)s2)cc1 ZINC000410210940 823421187 /nfs/dbraw/zinc/42/11/87/823421187.db2.gz OKIIABJGCXAXLU-UHFFFAOYSA-N 1 2 399.479 4.103 20 30 GIEDLO Cc1onc(-c2ccccc2)c1-c1nnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)o1 ZINC000572987807 823430299 /nfs/dbraw/zinc/43/02/99/823430299.db2.gz JCQWTMOLEHMODM-AWEZNQCLSA-N 1 2 385.427 4.423 20 30 GIEDLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000189506138 823433350 /nfs/dbraw/zinc/43/33/50/823433350.db2.gz HIEKWQIKYHKKDT-YWZLYKJASA-N 1 2 383.879 4.002 20 30 GIEDLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000189506138 823433353 /nfs/dbraw/zinc/43/33/53/823433353.db2.gz HIEKWQIKYHKKDT-YWZLYKJASA-N 1 2 383.879 4.002 20 30 GIEDLO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1C ZINC000028956506 820377236 /nfs/dbraw/zinc/37/72/36/820377236.db2.gz PDMZOZJKCGGYOJ-RUZDIDTESA-N 1 2 398.510 4.324 20 30 GIEDLO CC(C)(C)c1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043315620 821391425 /nfs/dbraw/zinc/39/14/25/821391425.db2.gz CKMCZLZZCILQMV-UHFFFAOYSA-N 1 2 376.504 4.205 20 30 GIEDLO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044439012 821587416 /nfs/dbraw/zinc/58/74/16/821587416.db2.gz WFIFWYPMCYHOLC-SSDOTTSWSA-N 1 2 394.290 4.119 20 30 GIEDLO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044439012 821587422 /nfs/dbraw/zinc/58/74/22/821587422.db2.gz WFIFWYPMCYHOLC-SSDOTTSWSA-N 1 2 394.290 4.119 20 30 GIEDLO C[C@H](c1nc2ccccc2o1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000181042308 821607947 /nfs/dbraw/zinc/60/79/47/821607947.db2.gz KPQIHXRECACCHT-MRXNPFEDSA-N 1 2 383.455 4.131 20 30 GIEDLO C[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000182198424 822143346 /nfs/dbraw/zinc/14/33/46/822143346.db2.gz SNFXTDJDGFPISK-YLJYHZDGSA-N 1 2 386.455 4.270 20 30 GIEDLO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c2ccccc21 ZINC000183384402 822466823 /nfs/dbraw/zinc/46/68/23/822466823.db2.gz JUQUBYAHMSRTIF-LJQANCHMSA-N 1 2 391.446 4.030 20 30 GIEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c2ccccc21 ZINC000183384402 822466826 /nfs/dbraw/zinc/46/68/26/822466826.db2.gz JUQUBYAHMSRTIF-LJQANCHMSA-N 1 2 391.446 4.030 20 30 GIEDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)s1 ZINC000183932280 822549470 /nfs/dbraw/zinc/54/94/70/822549470.db2.gz CWHJHPXKCKEFSA-CYBMUJFWSA-N 1 2 388.562 4.309 20 30 GIEDLO N#Cc1ccccc1-c1ccccc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000047475767 822582311 /nfs/dbraw/zinc/58/23/11/822582311.db2.gz AHBCHBVJJZWQDW-UHFFFAOYSA-N 1 2 392.462 4.400 20 30 GIEDLO CC(C)COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000184162097 822588496 /nfs/dbraw/zinc/58/84/96/822588496.db2.gz NIDXBBMXIMRVKA-KDOFPFPSSA-N 1 2 389.883 4.135 20 30 GIEDLO Cn1cc([C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c2ccc(F)cc2)cn1 ZINC000184580089 822660828 /nfs/dbraw/zinc/66/08/28/822660828.db2.gz SZFRCFGSVGBOJO-HXUWFJFHSA-N 1 2 387.380 4.309 20 30 GIEDLO Cc1cc(C)c(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)[nH+]1 ZINC000455523227 822670364 /nfs/dbraw/zinc/67/03/64/822670364.db2.gz NPBVXOBQLJAERC-UHFFFAOYSA-N 1 2 382.439 4.093 20 30 GIEDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cs1 ZINC000184710026 822680304 /nfs/dbraw/zinc/68/03/04/822680304.db2.gz AFSICXXQYJNHGV-KBPBESRZSA-N 1 2 388.562 4.247 20 30 GIEDLO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3Cn3cc[nH+]c3)cc2)c1 ZINC000180474825 822688327 /nfs/dbraw/zinc/68/83/27/822688327.db2.gz FLYWCPCALQGPAX-IBGZPJMESA-N 1 2 387.443 4.244 20 30 GIEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccccc3C(C)(C)C#N)n2)c1 ZINC000185134691 822741328 /nfs/dbraw/zinc/74/13/28/822741328.db2.gz OQFVFUYGEYBCOR-OAHLLOKOSA-N 1 2 376.460 4.397 20 30 GIEDLO N#Cc1ccc(C[N@@H+](CC(=O)NC(C2CC2)C2CC2)Cc2cccc(F)c2)cc1 ZINC000052798000 822810911 /nfs/dbraw/zinc/81/09/11/822810911.db2.gz XAFGYLIMLYSUJW-UHFFFAOYSA-N 1 2 391.490 4.004 20 30 GIEDLO N#Cc1ccc(C[N@H+](CC(=O)NC(C2CC2)C2CC2)Cc2cccc(F)c2)cc1 ZINC000052798000 822810913 /nfs/dbraw/zinc/81/09/13/822810913.db2.gz XAFGYLIMLYSUJW-UHFFFAOYSA-N 1 2 391.490 4.004 20 30 GIEDLO N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)o1 ZINC000055409038 822958552 /nfs/dbraw/zinc/95/85/52/822958552.db2.gz UWSDKPIJHBJWDL-UHFFFAOYSA-N 1 2 384.395 4.168 20 30 GIEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000411191940 823556029 /nfs/dbraw/zinc/55/60/29/823556029.db2.gz KVRUDNZVVUTUMQ-VQIMIIECSA-N 1 2 399.516 4.397 20 30 GIEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000411191940 823556031 /nfs/dbraw/zinc/55/60/31/823556031.db2.gz KVRUDNZVVUTUMQ-VQIMIIECSA-N 1 2 399.516 4.397 20 30 GIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000125412682 823674253 /nfs/dbraw/zinc/67/42/53/823674253.db2.gz ICFSDJAMWKQTIS-IAGOWNOFSA-N 1 2 397.548 4.301 20 30 GIEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125515177 823682064 /nfs/dbraw/zinc/68/20/64/823682064.db2.gz FRPWOJRZWZYSDR-UHFFFAOYSA-N 1 2 387.549 4.054 20 30 GIEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc(-c3ccccc3Cl)on2)CC1 ZINC000574549401 823761783 /nfs/dbraw/zinc/76/17/83/823761783.db2.gz LQGBLWHNVLNROQ-UHFFFAOYSA-N 1 2 378.863 4.447 20 30 GIEDLO Cc1cc([C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2ccccc2Cl)ccc1F ZINC000462175889 823854546 /nfs/dbraw/zinc/85/45/46/823854546.db2.gz LBSLPVLBJYKNSX-YADHBBJMSA-N 1 2 399.897 4.275 20 30 GIEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000462364014 823942226 /nfs/dbraw/zinc/94/22/26/823942226.db2.gz GGPJHNGHNORGSJ-INIZCTEOSA-N 1 2 383.517 4.028 20 30 GIEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000462364014 823942234 /nfs/dbraw/zinc/94/22/34/823942234.db2.gz GGPJHNGHNORGSJ-INIZCTEOSA-N 1 2 383.517 4.028 20 30 GIEDLO CC(C)COC1CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000170984960 824027703 /nfs/dbraw/zinc/02/77/03/824027703.db2.gz WQTRLVBTSOPNRD-KRWDZBQOSA-N 1 2 389.565 4.014 20 30 GIEDLO C=CCn1c(=O)c2ccc(Cl)cc2nc1SCc1cn2ccccc2[nH+]1 ZINC000008760041 206224593 /nfs/dbraw/zinc/22/45/93/206224593.db2.gz RFOBYURHXHCKHB-UHFFFAOYSA-N 1 2 382.876 4.176 20 30 GIEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000570597848 823059698 /nfs/dbraw/zinc/05/96/98/823059698.db2.gz ZWQZZMIGWASIAK-UHFFFAOYSA-N 1 2 382.512 4.036 20 30 GIEDLO C=C(C)[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000187490198 823074209 /nfs/dbraw/zinc/07/42/09/823074209.db2.gz AXWPQRHQWDGVDA-OAQYLSRUSA-N 1 2 396.441 4.326 20 30 GIEDLO C[N@H+](Cc1nc(-c2cc(Br)cs2)no1)Cc1ccc(C#N)cc1 ZINC000056283820 823120871 /nfs/dbraw/zinc/12/08/71/823120871.db2.gz AVQBLAFGTUTTRN-UHFFFAOYSA-N 1 2 389.278 4.064 20 30 GIEDLO C[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)Cc1ccc(C#N)cc1 ZINC000056283820 823120874 /nfs/dbraw/zinc/12/08/74/823120874.db2.gz AVQBLAFGTUTTRN-UHFFFAOYSA-N 1 2 389.278 4.064 20 30 GIEDLO Cc1nc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)sc1SCC#N ZINC000121290511 823156301 /nfs/dbraw/zinc/15/63/01/823156301.db2.gz BJDZGLRAESEFGO-INIZCTEOSA-N 1 2 386.546 4.060 20 30 GIEDLO Cc1nc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)sc1SCC#N ZINC000121290511 823156304 /nfs/dbraw/zinc/15/63/04/823156304.db2.gz BJDZGLRAESEFGO-INIZCTEOSA-N 1 2 386.546 4.060 20 30 GIEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000176216790 823154963 /nfs/dbraw/zinc/15/49/63/823154963.db2.gz ZZNGZZKSIVINHP-MRXNPFEDSA-N 1 2 382.485 4.161 20 30 GIEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000176216790 823154965 /nfs/dbraw/zinc/15/49/65/823154965.db2.gz ZZNGZZKSIVINHP-MRXNPFEDSA-N 1 2 382.485 4.161 20 30 GIEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000056664873 823192482 /nfs/dbraw/zinc/19/24/82/823192482.db2.gz YQRDFZJYOCQEAV-INIZCTEOSA-N 1 2 375.432 4.066 20 30 GIEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1c2ccccc2-c2ccccc21 ZINC000176433177 823206345 /nfs/dbraw/zinc/20/63/45/823206345.db2.gz XETMZFIXNNHLPS-UHFFFAOYSA-N 1 2 388.492 4.034 20 30 GIEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1c2ccccc2-c2ccccc21 ZINC000176433177 823206349 /nfs/dbraw/zinc/20/63/49/823206349.db2.gz XETMZFIXNNHLPS-UHFFFAOYSA-N 1 2 388.492 4.034 20 30 GIEDLO C=CCOc1c(Br)cc(C[NH+]2CC3(C2)CCOCC3)cc1OCC ZINC000459622560 823231213 /nfs/dbraw/zinc/23/12/13/823231213.db2.gz QFNQEJDSPRAKMO-UHFFFAOYSA-N 1 2 396.325 4.025 20 30 GIEDLO CC(C)C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000057392992 823289035 /nfs/dbraw/zinc/28/90/35/823289035.db2.gz VWTLJASZVZUCSS-FQEVSTJZSA-N 1 2 396.560 4.234 20 30 GIEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)c(OC)c1 ZINC000007719581 817902406 /nfs/dbraw/zinc/90/24/06/817902406.db2.gz COIGZOCBFFNEOS-IBGZPJMESA-N 1 2 399.878 4.004 20 30 GIEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)c(OC)c1 ZINC000007719581 817902412 /nfs/dbraw/zinc/90/24/12/817902412.db2.gz COIGZOCBFFNEOS-IBGZPJMESA-N 1 2 399.878 4.004 20 30 GIEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000007740235 817905668 /nfs/dbraw/zinc/90/56/68/817905668.db2.gz UBOKHQYBKZQRFD-LJQANCHMSA-N 1 2 399.878 4.004 20 30 GIEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000007740235 817905673 /nfs/dbraw/zinc/90/56/73/817905673.db2.gz UBOKHQYBKZQRFD-LJQANCHMSA-N 1 2 399.878 4.004 20 30 GIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1c(C)nn(-c2ccccn2)c1C ZINC000572286449 823313508 /nfs/dbraw/zinc/31/35/08/823313508.db2.gz KBFRBHQCKGWPKD-UHFFFAOYSA-N 1 2 378.524 4.240 20 30 GIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1c(C)nn(-c2ccccn2)c1C ZINC000572286449 823313514 /nfs/dbraw/zinc/31/35/14/823313514.db2.gz KBFRBHQCKGWPKD-UHFFFAOYSA-N 1 2 378.524 4.240 20 30 GIEDLO C[N@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1cccc(C#N)c1 ZINC000016625791 818460278 /nfs/dbraw/zinc/46/02/78/818460278.db2.gz NPCTVFWNHHLGSI-UHFFFAOYSA-N 1 2 381.785 4.301 20 30 GIEDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1cccc(C#N)c1 ZINC000016625791 818460283 /nfs/dbraw/zinc/46/02/83/818460283.db2.gz NPCTVFWNHHLGSI-UHFFFAOYSA-N 1 2 381.785 4.301 20 30 GIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000017843319 818530789 /nfs/dbraw/zinc/53/07/89/818530789.db2.gz DRLYMIVITJDJOJ-UHFFFAOYSA-N 1 2 381.479 4.183 20 30 GIEDLO CC[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(Cl)s1 ZINC000018936046 818580839 /nfs/dbraw/zinc/58/08/39/818580839.db2.gz OBTDHFMBTZONDC-UHFFFAOYSA-N 1 2 379.938 4.478 20 30 GIEDLO CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(Cl)s1 ZINC000018936046 818580848 /nfs/dbraw/zinc/58/08/48/818580848.db2.gz OBTDHFMBTZONDC-UHFFFAOYSA-N 1 2 379.938 4.478 20 30 GIEDLO N#Cc1ccccc1CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000022614685 818833443 /nfs/dbraw/zinc/83/34/43/818833443.db2.gz RPQSXJMNBUFLFM-UHFFFAOYSA-N 1 2 389.528 4.086 20 30 GIEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000027104220 820194512 /nfs/dbraw/zinc/19/45/12/820194512.db2.gz WIXIKTSCDGBOAK-AWEZNQCLSA-N 1 2 382.851 4.343 20 30 GIEDLO C=CC[N@@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1cccs1 ZINC000029067193 820388551 /nfs/dbraw/zinc/38/85/51/820388551.db2.gz KRTVVZVPVCEEDV-UHFFFAOYSA-N 1 2 380.897 4.045 20 30 GIEDLO C=CC[N@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1cccs1 ZINC000029067193 820388562 /nfs/dbraw/zinc/38/85/62/820388562.db2.gz KRTVVZVPVCEEDV-UHFFFAOYSA-N 1 2 380.897 4.045 20 30 GIEDLO CCCCn1c(SCc2cc(C#N)ccc2F)nnc1[C@H](CC)[NH+](C)C ZINC000029595371 820481329 /nfs/dbraw/zinc/48/13/29/820481329.db2.gz SCTOLIJPHYWEIC-KRWDZBQOSA-N 1 2 375.517 4.394 20 30 GIEDLO C[C@@H](c1nnc(SCc2ccc(C#N)cc2F)n1-c1ccc(F)cc1)[NH+](C)C ZINC000029865749 820535404 /nfs/dbraw/zinc/53/54/04/820535404.db2.gz CVMMBIBWSOTIGY-ZDUSSCGKSA-N 1 2 399.470 4.332 20 30 GIEDLO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1Cl ZINC000042899085 821343405 /nfs/dbraw/zinc/34/34/05/821343405.db2.gz HLIRREMWOIHAMT-LJQANCHMSA-N 1 2 393.878 4.404 20 30 GIEDLO Cc1cccc(C(C)C)c1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043313501 821390491 /nfs/dbraw/zinc/39/04/91/821390491.db2.gz NSFIATRWHPYWKT-UHFFFAOYSA-N 1 2 376.504 4.340 20 30 GIEDLO N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178187078 822346567 /nfs/dbraw/zinc/34/65/67/822346567.db2.gz AMZDNHVWFMVCRY-UHFFFAOYSA-N 1 2 383.411 4.320 20 30 GIEDLO C=CCOc1ccc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046345563 822464061 /nfs/dbraw/zinc/46/40/61/822464061.db2.gz ISBNHCXRLDFQMI-HDICACEKSA-N 1 2 380.488 4.113 20 30 GIEDLO C=CCOc1ccc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046345563 822464062 /nfs/dbraw/zinc/46/40/62/822464062.db2.gz ISBNHCXRLDFQMI-HDICACEKSA-N 1 2 380.488 4.113 20 30 GIEDLO N#CCCn1cc(C(=O)C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c2ccccc21 ZINC000183384385 822466652 /nfs/dbraw/zinc/46/66/52/822466652.db2.gz JUQUBYAHMSRTIF-IBGZPJMESA-N 1 2 391.446 4.030 20 30 GIEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c2ccccc21 ZINC000183384385 822466655 /nfs/dbraw/zinc/46/66/55/822466655.db2.gz JUQUBYAHMSRTIF-IBGZPJMESA-N 1 2 391.446 4.030 20 30 GIEDLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000046527362 822481359 /nfs/dbraw/zinc/48/13/59/822481359.db2.gz OIEBTZLAJASSBW-UHFFFAOYSA-N 1 2 385.427 4.204 20 30 GIEDLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000046527362 822481361 /nfs/dbraw/zinc/48/13/61/822481361.db2.gz OIEBTZLAJASSBW-UHFFFAOYSA-N 1 2 385.427 4.204 20 30 GIEDLO CC(C)(C)c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C#N)s1 ZINC000179547385 822501057 /nfs/dbraw/zinc/50/10/57/822501057.db2.gz FINDCHMLCXAAKL-UHFFFAOYSA-N 1 2 395.444 4.263 20 30 GIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184105124 822578758 /nfs/dbraw/zinc/57/87/58/822578758.db2.gz SBOYRYXMHQPKDD-QGZVFWFLSA-N 1 2 395.532 4.078 20 30 GIEDLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)n1 ZINC000184221666 822598376 /nfs/dbraw/zinc/59/83/76/822598376.db2.gz FQCQLKIODATNDR-HNNXBMFYSA-N 1 2 393.516 4.020 20 30 GIEDLO COc1ccc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)cc1OCCCC#N ZINC000184246079 822602336 /nfs/dbraw/zinc/60/23/36/822602336.db2.gz XAIYKUPNXRDEIY-JOCHJYFZSA-N 1 2 394.515 4.211 20 30 GIEDLO COc1ccc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)cc1OCCCC#N ZINC000184246079 822602338 /nfs/dbraw/zinc/60/23/38/822602338.db2.gz XAIYKUPNXRDEIY-JOCHJYFZSA-N 1 2 394.515 4.211 20 30 GIEDLO Cc1csc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)n1 ZINC000184273394 822606999 /nfs/dbraw/zinc/60/69/99/822606999.db2.gz ICEGWGKLVYWLCY-AWEZNQCLSA-N 1 2 376.913 4.011 20 30 GIEDLO C[C@@H](c1cccc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000455475039 822661693 /nfs/dbraw/zinc/66/16/93/822661693.db2.gz KMUFNBPVGBGFEC-SFHVURJKSA-N 1 2 391.515 4.159 20 30 GIEDLO C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000184859899 822701880 /nfs/dbraw/zinc/70/18/80/822701880.db2.gz WYSAGASTQZVJCS-QKBUSNMPSA-N 1 2 394.519 4.312 20 30 GIEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ncc(-c2ccccc2)o1 ZINC000184873342 822704951 /nfs/dbraw/zinc/70/49/51/822704951.db2.gz SMVZENSRFUKAOG-CYBMUJFWSA-N 1 2 380.835 4.156 20 30 GIEDLO N#CCc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(Cl)c1 ZINC000455705886 822708142 /nfs/dbraw/zinc/70/81/42/822708142.db2.gz PEGSOFIMMCYYFY-UHFFFAOYSA-N 1 2 383.883 4.113 20 30 GIEDLO C[C@H]1CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000455770910 822723488 /nfs/dbraw/zinc/72/34/88/822723488.db2.gz MYLPBYPEMRAFPB-YJBOKZPZSA-N 1 2 381.480 4.047 20 30 GIEDLO CCCCOc1ccc(-c2nnc(C[N@H+](C)Cc3cccc(C#N)c3)o2)cc1 ZINC000051400925 822758663 /nfs/dbraw/zinc/75/86/63/822758663.db2.gz QQURENUVYQCNSV-UHFFFAOYSA-N 1 2 376.460 4.419 20 30 GIEDLO CCCCOc1ccc(-c2nnc(C[N@@H+](C)Cc3cccc(C#N)c3)o2)cc1 ZINC000051400925 822758665 /nfs/dbraw/zinc/75/86/65/822758665.db2.gz QQURENUVYQCNSV-UHFFFAOYSA-N 1 2 376.460 4.419 20 30 GIEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000456063736 822773134 /nfs/dbraw/zinc/77/31/34/822773134.db2.gz JOBILHCJSIXHFH-QGZVFWFLSA-N 1 2 381.545 4.094 20 30 GIEDLO Cc1[nH]c2ccccc2c1C1=CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000174595025 822809744 /nfs/dbraw/zinc/80/97/44/822809744.db2.gz YXNMLYYVNQVJHI-QGZVFWFLSA-N 1 2 384.483 4.464 20 30 GIEDLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000174595025 822809748 /nfs/dbraw/zinc/80/97/48/822809748.db2.gz YXNMLYYVNQVJHI-QGZVFWFLSA-N 1 2 384.483 4.464 20 30 GIEDLO Cc1[nH]c2ccccc2c1C1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000053743496 822846737 /nfs/dbraw/zinc/84/67/37/822846737.db2.gz NNEBYYLMFJKADM-UHFFFAOYSA-N 1 2 390.487 4.376 20 30 GIEDLO CC(C)(C)OCc1cc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)no1 ZINC000186423222 822892250 /nfs/dbraw/zinc/89/22/50/822892250.db2.gz UKHMEQFSGMLWMF-UHFFFAOYSA-N 1 2 393.491 4.057 20 30 GIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186685630 822937099 /nfs/dbraw/zinc/93/70/99/822937099.db2.gz LUZBBDORTBDJRA-JOCHJYFZSA-N 1 2 380.513 4.035 20 30 GIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186685630 822937102 /nfs/dbraw/zinc/93/71/02/822937102.db2.gz LUZBBDORTBDJRA-JOCHJYFZSA-N 1 2 380.513 4.035 20 30 GIEDLO C=C(C)Cn1c(N(CC)CC2CCN(c3cccc[nH+]3)CC2)nnc1C(C)(C)C ZINC000460943915 823547632 /nfs/dbraw/zinc/54/76/32/823547632.db2.gz PAEUANCXJFMVFL-UHFFFAOYSA-N 1 2 396.583 4.290 20 30 GIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000125010300 823644769 /nfs/dbraw/zinc/64/47/69/823644769.db2.gz XIADQUDACDSWBG-SJORKVTESA-N 1 2 397.548 4.158 20 30 GIEDLO C=CCc1cc(C[N@@H+](C)Cc2csc([C@@H](C)OCC)n2)c(O)c(OC)c1 ZINC000164414349 823801571 /nfs/dbraw/zinc/80/15/71/823801571.db2.gz KRXMPMJECZMPBW-CQSZACIVSA-N 1 2 376.522 4.315 20 30 GIEDLO C=CCc1cc(C[N@H+](C)Cc2csc([C@@H](C)OCC)n2)c(O)c(OC)c1 ZINC000164414349 823801578 /nfs/dbraw/zinc/80/15/78/823801578.db2.gz KRXMPMJECZMPBW-CQSZACIVSA-N 1 2 376.522 4.315 20 30 GIEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000414098926 823909166 /nfs/dbraw/zinc/90/91/66/823909166.db2.gz PRWIDIHAFMWTTF-IBGZPJMESA-N 1 2 393.512 4.307 20 30 GIEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000414098926 823909171 /nfs/dbraw/zinc/90/91/71/823909171.db2.gz PRWIDIHAFMWTTF-IBGZPJMESA-N 1 2 393.512 4.307 20 30 GIEDLO N#CCCCCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000170884229 824000194 /nfs/dbraw/zinc/00/01/94/824000194.db2.gz DUBLFMNLXGLWFO-UHFFFAOYSA-N 1 2 387.487 4.091 20 30 GIEDLO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)n1cc[nH+]c1 ZINC000570518575 823049003 /nfs/dbraw/zinc/04/90/03/823049003.db2.gz DKJUIXDGHFDTSE-GFCCVEGCSA-N 1 2 382.411 4.497 20 30 GIEDLO C=C(C)[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000187653791 823106075 /nfs/dbraw/zinc/10/60/75/823106075.db2.gz JWORSMNMQKEMGR-HXUWFJFHSA-N 1 2 382.414 4.267 20 30 GIEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571351248 823169528 /nfs/dbraw/zinc/16/95/28/823169528.db2.gz MSFSBRVSONWDCM-RTBURBONSA-N 1 2 389.833 4.055 20 30 GIEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571351248 823169531 /nfs/dbraw/zinc/16/95/31/823169531.db2.gz MSFSBRVSONWDCM-RTBURBONSA-N 1 2 389.833 4.055 20 30 GIEDLO CCOC(=O)c1oc2ccc(Br)cc2c1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459444121 823193269 /nfs/dbraw/zinc/19/32/69/823193269.db2.gz ADCCKBUWMUGDNR-ABAIWWIYSA-N 1 2 391.265 4.154 20 30 GIEDLO COCC[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000459505231 823206480 /nfs/dbraw/zinc/20/64/80/823206480.db2.gz HOEASUBTKWCOER-QGZVFWFLSA-N 1 2 393.365 4.353 20 30 GIEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1C ZINC000459643254 823236370 /nfs/dbraw/zinc/23/63/70/823236370.db2.gz NZBVWEZZJGGEDZ-LJQANCHMSA-N 1 2 398.469 4.155 20 30 GIEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1C ZINC000459643254 823236375 /nfs/dbraw/zinc/23/63/75/823236375.db2.gz NZBVWEZZJGGEDZ-LJQANCHMSA-N 1 2 398.469 4.155 20 30 GIEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008262323 818026056 /nfs/dbraw/zinc/02/60/56/818026056.db2.gz ZHQIVZILIKBUOE-CQSZACIVSA-N 1 2 382.514 4.048 20 30 GIEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008262323 818026062 /nfs/dbraw/zinc/02/60/62/818026062.db2.gz ZHQIVZILIKBUOE-CQSZACIVSA-N 1 2 382.514 4.048 20 30 GIEDLO N#Cc1ccccc1CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000012134392 818143885 /nfs/dbraw/zinc/14/38/85/818143885.db2.gz FIZCWYOUAQHQMG-UHFFFAOYSA-N 1 2 375.501 4.027 20 30 GIEDLO NC(=[NH+]OCc1cccc([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1 ZINC000058499261 823400450 /nfs/dbraw/zinc/40/04/50/823400450.db2.gz NGUNMXIQGKXELB-UHFFFAOYSA-N 1 2 377.400 4.011 20 30 GIEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cn2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000572981840 823429701 /nfs/dbraw/zinc/42/97/01/823429701.db2.gz CSMSQIDEABRIMZ-SFHVURJKSA-N 1 2 375.394 4.324 20 30 GIEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cn2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000572981840 823429705 /nfs/dbraw/zinc/42/97/05/823429705.db2.gz CSMSQIDEABRIMZ-SFHVURJKSA-N 1 2 375.394 4.324 20 30 GIEDLO Cc1ccc(-c2csc(NC(=O)C[N@@H+](C)Cc3cccc(C#N)c3)n2)cc1 ZINC000026328590 820084866 /nfs/dbraw/zinc/08/48/66/820084866.db2.gz HEPKTAYDGYETTP-UHFFFAOYSA-N 1 2 376.485 4.061 20 30 GIEDLO Cc1ccc(-c2csc(NC(=O)C[N@H+](C)Cc3cccc(C#N)c3)n2)cc1 ZINC000026328590 820084872 /nfs/dbraw/zinc/08/48/72/820084872.db2.gz HEPKTAYDGYETTP-UHFFFAOYSA-N 1 2 376.485 4.061 20 30 GIEDLO CC(=O)c1c(C)cc(C)c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000028154795 820314630 /nfs/dbraw/zinc/31/46/30/820314630.db2.gz KWOLMODFAISCEV-UHFFFAOYSA-N 1 2 389.543 4.394 20 30 GIEDLO CC(=O)c1c(C)cc(C)c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000028154795 820314637 /nfs/dbraw/zinc/31/46/37/820314637.db2.gz KWOLMODFAISCEV-UHFFFAOYSA-N 1 2 389.543 4.394 20 30 GIEDLO N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)s2)cc1 ZINC000030607559 820649399 /nfs/dbraw/zinc/64/93/99/820649399.db2.gz UAMAUSYMFQFDEZ-UHFFFAOYSA-N 1 2 385.452 4.044 20 30 GIEDLO C[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000182198446 822143161 /nfs/dbraw/zinc/14/31/61/822143161.db2.gz SNFXTDJDGFPISK-FXAWDEMLSA-N 1 2 386.455 4.270 20 30 GIEDLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046526916 822481186 /nfs/dbraw/zinc/48/11/86/822481186.db2.gz VBDOAXNYJSINDC-KGLIPLIRSA-N 1 2 392.528 4.174 20 30 GIEDLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046526916 822481190 /nfs/dbraw/zinc/48/11/90/822481190.db2.gz VBDOAXNYJSINDC-KGLIPLIRSA-N 1 2 392.528 4.174 20 30 GIEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000179546221 822500849 /nfs/dbraw/zinc/50/08/49/822500849.db2.gz JNDUXSPENRSFDR-WOJBJXKFSA-N 1 2 398.457 4.333 20 30 GIEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000179546221 822500853 /nfs/dbraw/zinc/50/08/53/822500853.db2.gz JNDUXSPENRSFDR-WOJBJXKFSA-N 1 2 398.457 4.333 20 30 GIEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180072475 822609745 /nfs/dbraw/zinc/60/97/45/822609745.db2.gz SICCIPZXQPXTGS-NRFANRHFSA-N 1 2 392.890 4.186 20 30 GIEDLO Cn1cc(C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180072475 822609747 /nfs/dbraw/zinc/60/97/47/822609747.db2.gz SICCIPZXQPXTGS-NRFANRHFSA-N 1 2 392.890 4.186 20 30 GIEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000048240651 822647475 /nfs/dbraw/zinc/64/74/75/822647475.db2.gz SSACSNYVYVFROL-UHFFFAOYSA-N 1 2 392.528 4.186 20 30 GIEDLO C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCCn1cc[nH+]c1 ZINC000180430016 822680261 /nfs/dbraw/zinc/68/02/61/822680261.db2.gz IDRZNKVBXIMWQY-UHFFFAOYSA-N 1 2 389.912 4.075 20 30 GIEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cs1 ZINC000184710011 822680363 /nfs/dbraw/zinc/68/03/63/822680363.db2.gz AFSICXXQYJNHGV-UONOGXRCSA-N 1 2 388.562 4.247 20 30 GIEDLO C[C@@H]1CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000455770907 822723398 /nfs/dbraw/zinc/72/33/98/822723398.db2.gz MYLPBYPEMRAFPB-CRAIPNDOSA-N 1 2 381.480 4.047 20 30 GIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(Cl)s2)c1C ZINC000051233081 822751358 /nfs/dbraw/zinc/75/13/58/822751358.db2.gz KYUHCYLUVZMJRS-UHFFFAOYSA-N 1 2 375.925 4.397 20 30 GIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(Cl)s2)c1C ZINC000051233081 822751360 /nfs/dbraw/zinc/75/13/60/822751360.db2.gz KYUHCYLUVZMJRS-UHFFFAOYSA-N 1 2 375.925 4.397 20 30 GIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000185226647 822751917 /nfs/dbraw/zinc/75/19/17/822751917.db2.gz GEBFMSWQLSQBNF-HNNXBMFYSA-N 1 2 385.537 4.087 20 30 GIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186685648 822937110 /nfs/dbraw/zinc/93/71/10/822937110.db2.gz LUZBBDORTBDJRA-QFIPXVFZSA-N 1 2 380.513 4.035 20 30 GIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186685648 822937113 /nfs/dbraw/zinc/93/71/13/822937113.db2.gz LUZBBDORTBDJRA-QFIPXVFZSA-N 1 2 380.513 4.035 20 30 GIEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1F)Cc1cccs1 ZINC000570095108 823005441 /nfs/dbraw/zinc/00/54/41/823005441.db2.gz PDFZPFRDPHJFRC-UHFFFAOYSA-N 1 2 384.480 4.008 20 30 GIEDLO C=CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1F)Cc1cccs1 ZINC000570095108 823005443 /nfs/dbraw/zinc/00/54/43/823005443.db2.gz PDFZPFRDPHJFRC-UHFFFAOYSA-N 1 2 384.480 4.008 20 30 GIEDLO C=C(C)[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(F)c(F)c1 ZINC000187277434 823035564 /nfs/dbraw/zinc/03/55/64/823035564.db2.gz UWOQURLFKTUNKO-HXUWFJFHSA-N 1 2 386.446 4.077 20 30 GIEDLO C=CC[N@@H+](CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C)Cc1cccc(C#N)c1 ZINC000063300343 823660911 /nfs/dbraw/zinc/66/09/11/823660911.db2.gz ILNARMHDQNZAOP-DEOSSOPVSA-N 1 2 391.515 4.068 20 30 GIEDLO C=CC[N@H+](CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C)Cc1cccc(C#N)c1 ZINC000063300343 823660914 /nfs/dbraw/zinc/66/09/14/823660914.db2.gz ILNARMHDQNZAOP-DEOSSOPVSA-N 1 2 391.515 4.068 20 30 GIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cc1C)Cc1cccc(C#N)c1 ZINC000063300839 823661139 /nfs/dbraw/zinc/66/11/39/823661139.db2.gz IJHMZZJYLCLCRY-UHFFFAOYSA-N 1 2 398.304 4.256 20 30 GIEDLO C=CC[N@H+](CC(=O)Nc1ccc(Br)cc1C)Cc1cccc(C#N)c1 ZINC000063300839 823661140 /nfs/dbraw/zinc/66/11/40/823661140.db2.gz IJHMZZJYLCLCRY-UHFFFAOYSA-N 1 2 398.304 4.256 20 30 GIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000125412860 823674375 /nfs/dbraw/zinc/67/43/75/823674375.db2.gz ICFSDJAMWKQTIS-IRXDYDNUSA-N 1 2 397.548 4.301 20 30 GIEDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)n1 ZINC000191456343 823687401 /nfs/dbraw/zinc/68/74/01/823687401.db2.gz ICJPPOLCIZYTOD-SFHVURJKSA-N 1 2 383.517 4.458 20 30 GIEDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2Cc2ccccc2C(C)(C)C#N)n1 ZINC000191456343 823687404 /nfs/dbraw/zinc/68/74/04/823687404.db2.gz ICJPPOLCIZYTOD-SFHVURJKSA-N 1 2 383.517 4.458 20 30 GIEDLO N#Cc1c2c(sc1NC(=O)C[NH+]1CCC(c3ccncc3)CC1)CCCCC2 ZINC000191602639 823709780 /nfs/dbraw/zinc/70/97/80/823709780.db2.gz NRVHZVFMJTYXPU-UHFFFAOYSA-N 1 2 394.544 4.102 20 30 GIEDLO N#C[C@H]1CCC[C@H]1NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000461963668 823774267 /nfs/dbraw/zinc/77/42/67/823774267.db2.gz IFHTUIPCYCWOFR-NFBKMPQASA-N 1 2 399.498 4.090 20 30 GIEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1F ZINC000192094090 823858530 /nfs/dbraw/zinc/85/85/30/823858530.db2.gz CHTMLQUJNQYVON-UHFFFAOYSA-N 1 2 386.858 4.091 20 30 GIEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1F ZINC000192094090 823858536 /nfs/dbraw/zinc/85/85/36/823858536.db2.gz CHTMLQUJNQYVON-UHFFFAOYSA-N 1 2 386.858 4.091 20 30 GIEDLO C=CCn1c(Cc2ccccc2)nnc1SCc1[nH+]cc(C)c(OC)c1C ZINC000126846571 823965222 /nfs/dbraw/zinc/96/52/22/823965222.db2.gz MDWXCEILLFIAPC-UHFFFAOYSA-N 1 2 380.517 4.368 20 30 GIEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000126955431 823989030 /nfs/dbraw/zinc/98/90/30/823989030.db2.gz QDFMJQUZMFJGLS-YLJYHZDGSA-N 1 2 382.533 4.181 20 30 GIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000170983489 824027267 /nfs/dbraw/zinc/02/72/67/824027267.db2.gz AAAHMPAELLEYLA-VQIMIIECSA-N 1 2 382.533 4.052 20 30 GIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000170983489 824027269 /nfs/dbraw/zinc/02/72/69/824027269.db2.gz AAAHMPAELLEYLA-VQIMIIECSA-N 1 2 382.533 4.052 20 30 GIEDLO C=C(C)[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000187534743 823083795 /nfs/dbraw/zinc/08/37/95/823083795.db2.gz NRHAWMFZJYOSTH-NRFANRHFSA-N 1 2 396.441 4.326 20 30 GIEDLO C[N@H+](Cc1nc(-c2cc(Br)cs2)no1)Cc1cccc(C#N)c1 ZINC000056283819 823120988 /nfs/dbraw/zinc/12/09/88/823120988.db2.gz XAYZATFJGZTAEM-UHFFFAOYSA-N 1 2 389.278 4.064 20 30 GIEDLO C[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)Cc1cccc(C#N)c1 ZINC000056283819 823120992 /nfs/dbraw/zinc/12/09/92/823120992.db2.gz XAYZATFJGZTAEM-UHFFFAOYSA-N 1 2 389.278 4.064 20 30 GIEDLO C=C(C)[C@@H]([NH2+]Cc1nc(=O)c2c(C)c(C)sc2[nH]1)c1ccc(F)c(F)c1 ZINC000187768391 823129090 /nfs/dbraw/zinc/12/90/90/823129090.db2.gz IGGUESIKEANSJI-QGZVFWFLSA-N 1 2 375.444 4.287 20 30 GIEDLO COCCn1c2ccccc2[nH+]c1NCc1cccn1Cc1ccccc1C#N ZINC000187960568 823164259 /nfs/dbraw/zinc/16/42/59/823164259.db2.gz YYKNHXAQABFNHN-UHFFFAOYSA-N 1 2 385.471 4.016 20 30 GIEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000459378659 823177447 /nfs/dbraw/zinc/17/74/47/823177447.db2.gz ZCGRDMWPBPJWFM-UHFFFAOYSA-N 1 2 386.249 4.398 20 30 GIEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3Cn3cc[nH+]c3)cc2)cc1 ZINC000176349031 823189040 /nfs/dbraw/zinc/18/90/40/823189040.db2.gz FATJAVHMRMSKKW-IBGZPJMESA-N 1 2 387.443 4.244 20 30 GIEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000459464914 823197792 /nfs/dbraw/zinc/19/77/92/823197792.db2.gz MTNYSBPDKWDUBK-IINYFYTJSA-N 1 2 395.315 4.337 20 30 GIEDLO C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000176395680 823198629 /nfs/dbraw/zinc/19/86/29/823198629.db2.gz QTOYDCOYUUFPDA-QGZVFWFLSA-N 1 2 390.512 4.113 20 30 GIEDLO N#Cc1ccccc1Oc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000056745214 823205291 /nfs/dbraw/zinc/20/52/91/823205291.db2.gz BIHYTTWCUOGZQO-UHFFFAOYSA-N 1 2 375.432 4.149 20 30 GIEDLO CC(C)C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000057392993 823289002 /nfs/dbraw/zinc/28/90/02/823289002.db2.gz VWTLJASZVZUCSS-HXUWFJFHSA-N 1 2 396.560 4.234 20 30 GIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cc1C)Cc1cccs1 ZINC000019540621 818594432 /nfs/dbraw/zinc/59/44/32/818594432.db2.gz HPYFNLUHYUSPCW-UHFFFAOYSA-N 1 2 379.323 4.446 20 30 GIEDLO C=CC[N@H+](CC(=O)Nc1ccc(Br)cc1C)Cc1cccs1 ZINC000019540621 818594436 /nfs/dbraw/zinc/59/44/36/818594436.db2.gz HPYFNLUHYUSPCW-UHFFFAOYSA-N 1 2 379.323 4.446 20 30 GIEDLO C[C@@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000122796155 823413782 /nfs/dbraw/zinc/41/37/82/823413782.db2.gz ZLDQKMGKXBZNOC-XGRCMKMKSA-N 1 2 385.471 4.044 20 30 GIEDLO C[C@@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000122795735 823413404 /nfs/dbraw/zinc/41/34/04/823413404.db2.gz ZLDQKMGKXBZNOC-URZJWIJPSA-N 1 2 385.471 4.044 20 30 GIEDLO N#Cc1cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1Oc1ccccc1 ZINC000189480126 823426708 /nfs/dbraw/zinc/42/67/08/823426708.db2.gz CSCSTMXYQGQJMH-UHFFFAOYSA-N 1 2 387.443 4.416 20 30 GIEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2OC(F)(F)F)c(C#N)c1C ZINC000025255802 819951315 /nfs/dbraw/zinc/95/13/15/819951315.db2.gz YJCGYIAAJMRPMY-GFCCVEGCSA-N 1 2 395.381 4.126 20 30 GIEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2OC(F)(F)F)c(C#N)c1C ZINC000025255802 819951324 /nfs/dbraw/zinc/95/13/24/819951324.db2.gz YJCGYIAAJMRPMY-GFCCVEGCSA-N 1 2 395.381 4.126 20 30 GIEDLO C=CC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ccccc1 ZINC000027776390 820285344 /nfs/dbraw/zinc/28/53/44/820285344.db2.gz IJBGDKCDVMZDOE-HXUWFJFHSA-N 1 2 389.455 4.239 20 30 GIEDLO C=CC[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ccccc1 ZINC000027776390 820285353 /nfs/dbraw/zinc/28/53/53/820285353.db2.gz IJBGDKCDVMZDOE-HXUWFJFHSA-N 1 2 389.455 4.239 20 30 GIEDLO C=CCOCC[N@@H+]1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000573427079 823491828 /nfs/dbraw/zinc/49/18/28/823491828.db2.gz CGNFTEYOVVQGMJ-OAHLLOKOSA-N 1 2 383.332 4.300 20 30 GIEDLO C=CCOCC[N@H+]1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000573427079 823491831 /nfs/dbraw/zinc/49/18/31/823491831.db2.gz CGNFTEYOVVQGMJ-OAHLLOKOSA-N 1 2 383.332 4.300 20 30 GIEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000042385306 821305974 /nfs/dbraw/zinc/30/59/74/821305974.db2.gz MCEHPZBIFLXDLQ-CQSZACIVSA-N 1 2 391.924 4.177 20 30 GIEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000042385306 821305983 /nfs/dbraw/zinc/30/59/83/821305983.db2.gz MCEHPZBIFLXDLQ-CQSZACIVSA-N 1 2 391.924 4.177 20 30 GIEDLO Cc1nc(-c2cc3c(s2)CC[N@H+](Cc2cnc4ccc(C#N)cn24)C3)cs1 ZINC000181570164 821883991 /nfs/dbraw/zinc/88/39/91/821883991.db2.gz RYGFOPYITTWJIE-UHFFFAOYSA-N 1 2 391.525 4.258 20 30 GIEDLO Cc1nc(-c2cc3c(s2)CC[N@@H+](Cc2cnc4ccc(C#N)cn24)C3)cs1 ZINC000181570164 821883998 /nfs/dbraw/zinc/88/39/98/821883998.db2.gz RYGFOPYITTWJIE-UHFFFAOYSA-N 1 2 391.525 4.258 20 30 GIEDLO COC(=O)c1ccc(-c2nc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)co2)cc1 ZINC000182093189 822091309 /nfs/dbraw/zinc/09/13/09/822091309.db2.gz RZLDOPRZZGSVHO-UHFFFAOYSA-N 1 2 387.439 4.164 20 30 GIEDLO COC(=O)c1ccc(-c2nc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)co2)cc1 ZINC000182093189 822091316 /nfs/dbraw/zinc/09/13/16/822091316.db2.gz RZLDOPRZZGSVHO-UHFFFAOYSA-N 1 2 387.439 4.164 20 30 GIEDLO C[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000182198406 822143219 /nfs/dbraw/zinc/14/32/19/822143219.db2.gz SNFXTDJDGFPISK-PXNSSMCTSA-N 1 2 386.455 4.270 20 30 GIEDLO C[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000182198389 822143410 /nfs/dbraw/zinc/14/34/10/822143410.db2.gz SNFXTDJDGFPISK-XLIONFOSSA-N 1 2 386.455 4.270 20 30 GIEDLO N#Cc1ccccc1Oc1ccccc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000182490985 822264759 /nfs/dbraw/zinc/26/47/59/822264759.db2.gz ICYGXLFWJUNTNV-UHFFFAOYSA-N 1 2 398.466 4.144 20 30 GIEDLO N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccn4cc[nH+]c4c3)c2)cc1 ZINC000178201989 822350925 /nfs/dbraw/zinc/35/09/25/822350925.db2.gz GQMJOLRUZCHUHK-UHFFFAOYSA-N 1 2 383.411 4.320 20 30 GIEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000183112988 822425965 /nfs/dbraw/zinc/42/59/65/822425965.db2.gz CWUZUMIDXKBGNL-ROUUACIJSA-N 1 2 389.499 4.103 20 30 GIEDLO C=CCOc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000046345567 822464427 /nfs/dbraw/zinc/46/44/27/822464427.db2.gz ISBNHCXRLDFQMI-QZTJIDSGSA-N 1 2 380.488 4.113 20 30 GIEDLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046526913 822481159 /nfs/dbraw/zinc/48/11/59/822481159.db2.gz VBDOAXNYJSINDC-UONOGXRCSA-N 1 2 392.528 4.174 20 30 GIEDLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046526913 822481162 /nfs/dbraw/zinc/48/11/62/822481162.db2.gz VBDOAXNYJSINDC-UONOGXRCSA-N 1 2 392.528 4.174 20 30 GIEDLO C=CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc2c(s1)CCCC2 ZINC000047247513 822558467 /nfs/dbraw/zinc/55/84/67/822558467.db2.gz XSWWDPYAGKSAJG-UHFFFAOYSA-N 1 2 378.501 4.100 20 30 GIEDLO Cc1csc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)n1 ZINC000184273409 822607008 /nfs/dbraw/zinc/60/70/08/822607008.db2.gz ICEGWGKLVYWLCY-CQSZACIVSA-N 1 2 376.913 4.011 20 30 GIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000184288496 822609210 /nfs/dbraw/zinc/60/92/10/822609210.db2.gz KTJKPCUREPEQFC-UHFFFAOYSA-N 1 2 383.345 4.456 20 30 GIEDLO Cc1oc(NC(=O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)c(C#N)c1C ZINC000184524879 822650913 /nfs/dbraw/zinc/65/09/13/822650913.db2.gz ZULMJUNEZLAITK-CYBMUJFWSA-N 1 2 380.473 4.181 20 30 GIEDLO N#CCc1cccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000049732441 822706767 /nfs/dbraw/zinc/70/67/67/822706767.db2.gz IUNNWRGOXCBTJA-IBGZPJMESA-N 1 2 385.870 4.112 20 30 GIEDLO N#CCc1ccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000455738969 822717541 /nfs/dbraw/zinc/71/75/41/822717541.db2.gz VWPJNUWRTATKNE-UHFFFAOYSA-N 1 2 385.899 4.327 20 30 GIEDLO CC(F)(F)c1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000455811448 822730788 /nfs/dbraw/zinc/73/07/88/822730788.db2.gz RPDWURGRTBUNMK-UHFFFAOYSA-N 1 2 384.430 4.020 20 30 GIEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2nc(-c3ccco3)cs2)cc1OC ZINC000051454642 822760684 /nfs/dbraw/zinc/76/06/84/822760684.db2.gz LGQXKVOSTKXFPV-UHFFFAOYSA-N 1 2 387.461 4.140 20 30 GIEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2nc(-c3ccco3)cs2)cc1OC ZINC000051454642 822760685 /nfs/dbraw/zinc/76/06/85/822760685.db2.gz LGQXKVOSTKXFPV-UHFFFAOYSA-N 1 2 387.461 4.140 20 30 GIEDLO Cc1cc(C)c(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c[nH+]1 ZINC000456840310 822837166 /nfs/dbraw/zinc/83/71/66/822837166.db2.gz NYNXUMDLSHLYCY-UHFFFAOYSA-N 1 2 396.922 4.146 20 30 GIEDLO COc1ccccc1C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CC1 ZINC000174823748 822842162 /nfs/dbraw/zinc/84/21/62/822842162.db2.gz DDUQTLPAVPTBJD-UHFFFAOYSA-N 1 2 387.483 4.411 20 30 GIEDLO COc1ccccc1C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CC1 ZINC000174823748 822842164 /nfs/dbraw/zinc/84/21/64/822842164.db2.gz DDUQTLPAVPTBJD-UHFFFAOYSA-N 1 2 387.483 4.411 20 30 GIEDLO C#CC[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@H]1CCc2ccccc21 ZINC000053609735 822842603 /nfs/dbraw/zinc/84/26/03/822842603.db2.gz MGJDNAYVBKQAPI-NRFANRHFSA-N 1 2 387.508 4.032 20 30 GIEDLO C#CC[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@H]1CCc2ccccc21 ZINC000053609735 822842604 /nfs/dbraw/zinc/84/26/04/822842604.db2.gz MGJDNAYVBKQAPI-NRFANRHFSA-N 1 2 387.508 4.032 20 30 GIEDLO Cc1cc(C#N)ccc1CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000186193471 822859744 /nfs/dbraw/zinc/85/97/44/822859744.db2.gz XFRSAVGDDMVOQI-UHFFFAOYSA-N 1 2 389.528 4.336 20 30 GIEDLO COCCCn1nccc1C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000569023231 822870654 /nfs/dbraw/zinc/87/06/54/822870654.db2.gz CQNWHTHXVLTPRI-UHFFFAOYSA-N 1 2 392.478 4.133 20 30 GIEDLO COCCCn1nccc1C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000569023231 822870656 /nfs/dbraw/zinc/87/06/56/822870656.db2.gz CQNWHTHXVLTPRI-UHFFFAOYSA-N 1 2 392.478 4.133 20 30 GIEDLO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186293244 822872175 /nfs/dbraw/zinc/87/21/75/822872175.db2.gz VFAMKUGGDFQSPH-HZPDHXFCSA-N 1 2 393.516 4.110 20 30 GIEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cccc(SCC#N)c2)C[C@H](C)O1 ZINC000175630996 823009872 /nfs/dbraw/zinc/00/98/72/823009872.db2.gz RABLINIHJLLTAB-CALCHBBNSA-N 1 2 395.528 4.164 20 30 GIEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cccc(SCC#N)c2)C[C@H](C)O1 ZINC000175630996 823009876 /nfs/dbraw/zinc/00/98/76/823009876.db2.gz RABLINIHJLLTAB-CALCHBBNSA-N 1 2 395.528 4.164 20 30 GIEDLO COC(=O)c1cccc(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2C)c1C#N ZINC000570388600 823032320 /nfs/dbraw/zinc/03/23/20/823032320.db2.gz DRJAHPMVQXXLEH-SFHVURJKSA-N 1 2 376.378 4.437 20 30 GIEDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2SCC#N)CC[C@@H]1C(F)(F)F ZINC000190176005 823546572 /nfs/dbraw/zinc/54/65/72/823546572.db2.gz IKHHGLJYZVVWOX-HNNXBMFYSA-N 1 2 385.455 4.151 20 30 GIEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2SCC#N)CC[C@@H]1C(F)(F)F ZINC000190176005 823546573 /nfs/dbraw/zinc/54/65/73/823546573.db2.gz IKHHGLJYZVVWOX-HNNXBMFYSA-N 1 2 385.455 4.151 20 30 GIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000411190641 823555834 /nfs/dbraw/zinc/55/58/34/823555834.db2.gz IDXZRANPCPIDEG-SFHVURJKSA-N 1 2 390.462 4.021 20 30 GIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000411190641 823555837 /nfs/dbraw/zinc/55/58/37/823555837.db2.gz IDXZRANPCPIDEG-SFHVURJKSA-N 1 2 390.462 4.021 20 30 GIEDLO C[C@@H](c1nnc(SCc2cc(C#N)ccc2F)n1-c1ccc(F)cc1)[NH+](C)C ZINC000124166333 823573928 /nfs/dbraw/zinc/57/39/28/823573928.db2.gz IJRIAIDURPUQPF-ZDUSSCGKSA-N 1 2 399.470 4.332 20 30 GIEDLO N#CCCn1cc(C[N@H+]2CCc3sc(Cl)cc3C2)c(-c2ccncc2)n1 ZINC000574878206 823849782 /nfs/dbraw/zinc/84/97/82/823849782.db2.gz WCTPIZTUMISZAD-UHFFFAOYSA-N 1 2 383.908 4.132 20 30 GIEDLO N#CCCn1cc(C[N@@H+]2CCc3sc(Cl)cc3C2)c(-c2ccncc2)n1 ZINC000574878206 823849786 /nfs/dbraw/zinc/84/97/86/823849786.db2.gz WCTPIZTUMISZAD-UHFFFAOYSA-N 1 2 383.908 4.132 20 30 GIEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000126732573 823937870 /nfs/dbraw/zinc/93/78/70/823937870.db2.gz AQPYWULXGDROTE-ZDUSSCGKSA-N 1 2 379.888 4.308 20 30 GIEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000126732573 823937874 /nfs/dbraw/zinc/93/78/74/823937874.db2.gz AQPYWULXGDROTE-ZDUSSCGKSA-N 1 2 379.888 4.308 20 30 GIEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)Nc4ccc(C#N)cc4)c3)cn2c1 ZINC000010393034 204334365 /nfs/dbraw/zinc/33/43/65/204334365.db2.gz AVAFPIGFSAPZMB-UHFFFAOYSA-N 1 2 382.423 4.346 20 30 GIEDLO C=C(C)CCNC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000458989071 823113521 /nfs/dbraw/zinc/11/35/21/823113521.db2.gz CHEODSMDNLVGIG-UHFFFAOYSA-N 1 2 378.879 4.244 20 30 GIEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000459464918 823197933 /nfs/dbraw/zinc/19/79/33/823197933.db2.gz MTNYSBPDKWDUBK-YGRLFVJLSA-N 1 2 395.315 4.337 20 30 GIEDLO Cc1ccc2nc(-c3ccc(NC(=O)C[NH2+][C@@H]4CCC[C@H]4C#N)cc3)sc2c1 ZINC000459471138 823199185 /nfs/dbraw/zinc/19/91/85/823199185.db2.gz VGCZLQBSTYWHNL-FUHWJXTLSA-N 1 2 390.512 4.492 20 30 GIEDLO C[NH+](C)[C@H](C(=O)Nc1ccc(C#N)c(Br)c1)c1cccc(Cl)c1 ZINC000571716907 823223913 /nfs/dbraw/zinc/22/39/13/823223913.db2.gz PMMABRZWNDTPCC-INIZCTEOSA-N 1 2 392.684 4.216 20 30 GIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)c1C#N ZINC000014068069 818219781 /nfs/dbraw/zinc/21/97/81/818219781.db2.gz JQFHYXHJDIABKH-NRFANRHFSA-N 1 2 393.535 4.206 20 30 GIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)c1C#N ZINC000014068069 818219784 /nfs/dbraw/zinc/21/97/84/818219784.db2.gz JQFHYXHJDIABKH-NRFANRHFSA-N 1 2 393.535 4.206 20 30 GIEDLO C[N@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000016625806 818460412 /nfs/dbraw/zinc/46/04/12/818460412.db2.gz WQUWZSGLXVPPAA-UHFFFAOYSA-N 1 2 381.785 4.301 20 30 GIEDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000016625806 818460418 /nfs/dbraw/zinc/46/04/18/818460418.db2.gz WQUWZSGLXVPPAA-UHFFFAOYSA-N 1 2 381.785 4.301 20 30 GIEDLO Cc1ccccc1OCC[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000057974881 823352075 /nfs/dbraw/zinc/35/20/75/823352075.db2.gz GNXBYYQVNLXVOS-UHFFFAOYSA-N 1 2 375.472 4.057 20 30 GIEDLO Cc1ccccc1OCC[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000057974881 823352081 /nfs/dbraw/zinc/35/20/81/823352081.db2.gz GNXBYYQVNLXVOS-UHFFFAOYSA-N 1 2 375.472 4.057 20 30 GIEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(Br)cc2F)CC1 ZINC000058580570 823412217 /nfs/dbraw/zinc/41/22/17/823412217.db2.gz VQTNSVWHPPUSIU-UHFFFAOYSA-N 1 2 388.284 4.172 20 30 GIEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(Br)cc2F)CC1 ZINC000058580570 823412219 /nfs/dbraw/zinc/41/22/19/823412219.db2.gz VQTNSVWHPPUSIU-UHFFFAOYSA-N 1 2 388.284 4.172 20 30 GIEDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000189506160 823433455 /nfs/dbraw/zinc/43/34/55/823433455.db2.gz HIEKWQIKYHKKDT-FOIQADDNSA-N 1 2 383.879 4.002 20 30 GIEDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000189506160 823433459 /nfs/dbraw/zinc/43/34/59/823433459.db2.gz HIEKWQIKYHKKDT-FOIQADDNSA-N 1 2 383.879 4.002 20 30 GIEDLO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCn2cc[nH+]c2)cc1Cl ZINC000043311966 821390629 /nfs/dbraw/zinc/39/06/29/821390629.db2.gz VTKUCFXZGNBVNO-SFHVURJKSA-N 1 2 379.851 4.014 20 30 GIEDLO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ncc(-c2ccccc2)o1 ZINC000182728071 822358306 /nfs/dbraw/zinc/35/83/06/822358306.db2.gz PFNWBVALTIGTGZ-UZLBHIALSA-N 1 2 386.455 4.059 20 30 GIEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045491369 822390527 /nfs/dbraw/zinc/39/05/27/822390527.db2.gz KJJOOAVYKKDMKO-UHFFFAOYSA-N 1 2 390.940 4.295 20 30 GIEDLO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046519180 822480443 /nfs/dbraw/zinc/48/04/43/822480443.db2.gz AIYKWOCBLFYMRL-HSZRJFAPSA-N 1 2 385.467 4.379 20 30 GIEDLO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046519180 822480447 /nfs/dbraw/zinc/48/04/47/822480447.db2.gz AIYKWOCBLFYMRL-HSZRJFAPSA-N 1 2 385.467 4.379 20 30 GIEDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000046519050 822480542 /nfs/dbraw/zinc/48/05/42/822480542.db2.gz PKLBNTUQCTXVBW-UHFFFAOYSA-N 1 2 381.785 4.301 20 30 GIEDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000046519050 822480544 /nfs/dbraw/zinc/48/05/44/822480544.db2.gz PKLBNTUQCTXVBW-UHFFFAOYSA-N 1 2 381.785 4.301 20 30 GIEDLO C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)Cc1ccc(C#N)cc1 ZINC000046528938 822481868 /nfs/dbraw/zinc/48/18/68/822481868.db2.gz SPDOZUORTRVBNB-UHFFFAOYSA-N 1 2 392.684 4.045 20 30 GIEDLO C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)Cc1ccc(C#N)cc1 ZINC000046528938 822481869 /nfs/dbraw/zinc/48/18/69/822481869.db2.gz SPDOZUORTRVBNB-UHFFFAOYSA-N 1 2 392.684 4.045 20 30 GIEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000183940120 822550721 /nfs/dbraw/zinc/55/07/21/822550721.db2.gz TVYRTVKIKRGAJU-OAHLLOKOSA-N 1 2 387.405 4.096 20 30 GIEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000183967565 822555438 /nfs/dbraw/zinc/55/54/38/822555438.db2.gz XXBNWPMRPOZEKG-HNNXBMFYSA-N 1 2 387.405 4.096 20 30 GIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184105139 822578738 /nfs/dbraw/zinc/57/87/38/822578738.db2.gz SBOYRYXMHQPKDD-KRWDZBQOSA-N 1 2 395.532 4.078 20 30 GIEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc2c(cc1Br)OCCO2 ZINC000180460469 822686283 /nfs/dbraw/zinc/68/62/83/822686283.db2.gz MKRMHHODBPURCP-LLVKDONJSA-N 1 2 391.240 4.082 20 30 GIEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ncc(-c2ccccc2)o1 ZINC000184873321 822704986 /nfs/dbraw/zinc/70/49/86/822704986.db2.gz SMVZENSRFUKAOG-ZDUSSCGKSA-N 1 2 380.835 4.156 20 30 GIEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(CC#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000455903074 822745614 /nfs/dbraw/zinc/74/56/14/822745614.db2.gz IFBMGPYOKDMFKT-RTBURBONSA-N 1 2 386.858 4.112 20 30 GIEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(CC#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000455903074 822745616 /nfs/dbraw/zinc/74/56/16/822745616.db2.gz IFBMGPYOKDMFKT-RTBURBONSA-N 1 2 386.858 4.112 20 30 GIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000456063735 822773157 /nfs/dbraw/zinc/77/31/57/822773157.db2.gz JOBILHCJSIXHFH-KRWDZBQOSA-N 1 2 381.545 4.094 20 30 GIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCc3sccc3[C@H]2C)cc1 ZINC000053150898 822823681 /nfs/dbraw/zinc/82/36/81/822823681.db2.gz ZYWTUWPGSCMZAQ-MRXNPFEDSA-N 1 2 383.517 4.013 20 30 GIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCc3sccc3[C@H]2C)cc1 ZINC000053150898 822823684 /nfs/dbraw/zinc/82/36/84/822823684.db2.gz ZYWTUWPGSCMZAQ-MRXNPFEDSA-N 1 2 383.517 4.013 20 30 GIEDLO C=C(C)[C@H](NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccc(F)c(F)c1 ZINC000185846168 822826948 /nfs/dbraw/zinc/82/69/48/822826948.db2.gz OANALIQJZGZKGL-IBGZPJMESA-N 1 2 389.446 4.444 20 30 GIEDLO N#Cc1ccccc1N1C(=O)/C(=C/c2ccc(-n3cc[nH+]c3)cc2)SC1=S ZINC000055190703 822944574 /nfs/dbraw/zinc/94/45/74/822944574.db2.gz KJTJWGMVFLOFER-WQRHYEAKSA-N 1 2 388.477 4.150 20 30 GIEDLO N#Cc1ccccc1N1C(=O)/C(=C\c2ccc(-n3cc[nH+]c3)cc2)SC1=S ZINC000055190700 822944619 /nfs/dbraw/zinc/94/46/19/822944619.db2.gz KJTJWGMVFLOFER-WOJGMQOQSA-N 1 2 388.477 4.150 20 30 GIEDLO Cc1ccnc([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3SC[C@H](C)C#N)C2)c1 ZINC000569739734 822961502 /nfs/dbraw/zinc/96/15/02/822961502.db2.gz POEQUBBYDKGYIU-QZTJIDSGSA-N 1 2 394.544 4.070 20 30 GIEDLO Cc1ccnc([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3SC[C@H](C)C#N)C2)c1 ZINC000569739734 822961503 /nfs/dbraw/zinc/96/15/03/822961503.db2.gz POEQUBBYDKGYIU-QZTJIDSGSA-N 1 2 394.544 4.070 20 30 GIEDLO N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000175486753 822981072 /nfs/dbraw/zinc/98/10/72/822981072.db2.gz BPPCMENQMPNTKO-UHFFFAOYSA-N 1 2 388.496 4.383 20 30 GIEDLO Cc1c[nH+]c2cc(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)ccn12 ZINC000570226438 823016750 /nfs/dbraw/zinc/01/67/50/823016750.db2.gz YDMOFBOIDMTYRD-CYBMUJFWSA-N 1 2 386.377 4.216 20 30 GIEDLO C=CCC[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)c1ccc(C(F)(F)F)cc1 ZINC000460932906 823545417 /nfs/dbraw/zinc/54/54/17/823545417.db2.gz OKPISNTWKMTCBI-QGZVFWFLSA-N 1 2 378.398 4.135 20 30 GIEDLO C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCCn1cc[nH+]c1 ZINC000124988865 823643018 /nfs/dbraw/zinc/64/30/18/823643018.db2.gz JEVLAWZTRBTLDZ-UHFFFAOYSA-N 1 2 394.525 4.300 20 30 GIEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000124997033 823643678 /nfs/dbraw/zinc/64/36/78/823643678.db2.gz JAVBJNNFAHWZTE-YOEHRIQHSA-N 1 2 393.409 4.190 20 30 GIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000063300888 823661167 /nfs/dbraw/zinc/66/11/67/823661167.db2.gz WNIARJRBJWTLAJ-UHFFFAOYSA-N 1 2 389.377 4.084 20 30 GIEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000063300888 823661168 /nfs/dbraw/zinc/66/11/68/823661168.db2.gz WNIARJRBJWTLAJ-UHFFFAOYSA-N 1 2 389.377 4.084 20 30 GIEDLO C[C@H](c1nnc(SCC#Cc2ccccc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000191454960 823687119 /nfs/dbraw/zinc/68/71/19/823687119.db2.gz VBYHCYFESIVELG-MRXNPFEDSA-N 1 2 380.492 4.173 20 30 GIEDLO C=CCc1cc(C[N@H+](C)Cc2nccn2Cc2ccccc2)c(O)c(OC)c1 ZINC000164416922 823801519 /nfs/dbraw/zinc/80/15/19/823801519.db2.gz CEGMRCBQTIDJCU-UHFFFAOYSA-N 1 2 377.488 4.006 20 30 GIEDLO C=CCc1cc(C[N@@H+](C)Cc2nccn2Cc2ccccc2)c(O)c(OC)c1 ZINC000164416922 823801526 /nfs/dbraw/zinc/80/15/26/823801526.db2.gz CEGMRCBQTIDJCU-UHFFFAOYSA-N 1 2 377.488 4.006 20 30 GIEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(-c2nc(-c3ccccc3)cs2)cc1 ZINC000414146720 823918824 /nfs/dbraw/zinc/91/88/24/823918824.db2.gz QUDGIHZCHRRPFD-IBGZPJMESA-N 1 2 393.512 4.062 20 30 GIEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(-c2nc(-c3ccccc3)cs2)cc1 ZINC000414146720 823918833 /nfs/dbraw/zinc/91/88/33/823918833.db2.gz QUDGIHZCHRRPFD-IBGZPJMESA-N 1 2 393.512 4.062 20 30 GIEDLO N#Cc1cnc2ccc(Cl)cc2c1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000462391150 823956649 /nfs/dbraw/zinc/95/66/49/823956649.db2.gz QZYYSFUNZOPKIG-UHFFFAOYSA-N 1 2 377.810 4.119 20 30 GIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000575460023 823972634 /nfs/dbraw/zinc/97/26/34/823972634.db2.gz KQFUFSVLKUNXFB-VQIMIIECSA-N 1 2 380.517 4.109 20 30 GIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000575460023 823972640 /nfs/dbraw/zinc/97/26/40/823972640.db2.gz KQFUFSVLKUNXFB-VQIMIIECSA-N 1 2 380.517 4.109 20 30 GIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000170987761 824028711 /nfs/dbraw/zinc/02/87/11/824028711.db2.gz ZNKMZKMIKXFKNF-IRXDYDNUSA-N 1 2 379.529 4.496 20 30 GIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1C ZINC000170987761 824028714 /nfs/dbraw/zinc/02/87/14/824028714.db2.gz ZNKMZKMIKXFKNF-IRXDYDNUSA-N 1 2 379.529 4.496 20 30 GIEDLO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccs1)C[C@@H](C#N)CCC#N ZINC000120755479 823057837 /nfs/dbraw/zinc/05/78/37/823057837.db2.gz ACBMCGVMHHLRTM-QGZVFWFLSA-N 1 2 375.501 4.476 20 30 GIEDLO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccs1)C[C@@H](C#N)CCC#N ZINC000120755479 823057841 /nfs/dbraw/zinc/05/78/41/823057841.db2.gz ACBMCGVMHHLRTM-QGZVFWFLSA-N 1 2 375.501 4.476 20 30 GIEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000571122885 823135814 /nfs/dbraw/zinc/13/58/14/823135814.db2.gz KQLCKYHKWZONLP-AWEZNQCLSA-N 1 2 388.298 4.384 20 30 GIEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571351245 823169582 /nfs/dbraw/zinc/16/95/82/823169582.db2.gz MSFSBRVSONWDCM-MOPGFXCFSA-N 1 2 389.833 4.055 20 30 GIEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571351245 823169583 /nfs/dbraw/zinc/16/95/83/823169583.db2.gz MSFSBRVSONWDCM-MOPGFXCFSA-N 1 2 389.833 4.055 20 30 GIEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCNc1cccc[nH+]1 ZINC000056560385 823169749 /nfs/dbraw/zinc/16/97/49/823169749.db2.gz JOJWGMVUXOMBQS-UHFFFAOYSA-N 1 2 387.443 4.288 20 30 GIEDLO COc1cc([C@@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])ccc1OCC(C)C ZINC000459401105 823184261 /nfs/dbraw/zinc/18/42/61/823184261.db2.gz XDVMPKOWKGQYHN-OAHLLOKOSA-N 1 2 383.448 4.361 20 30 GIEDLO C=C(C)Cn1c(SCc2ccc(-n3cc[nH+]c3)cc2)nnc1-c1ccncc1 ZINC000188090761 823184828 /nfs/dbraw/zinc/18/48/28/823184828.db2.gz VAMNRKZQSGKNFW-UHFFFAOYSA-N 1 2 388.500 4.394 20 30 GIEDLO CC(C)([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000459437888 823192266 /nfs/dbraw/zinc/19/22/66/823192266.db2.gz ROQJYZRYAXUBGJ-UHFFFAOYSA-N 1 2 379.338 4.390 20 30 GIEDLO N#Cc1ccc(Oc2ccc(NC(=O)NCCCn3cc[nH+]c3)cc2Cl)cc1 ZINC000056750829 823206962 /nfs/dbraw/zinc/20/69/62/823206962.db2.gz QIUAHKNPHCXQMZ-UHFFFAOYSA-N 1 2 395.850 4.412 20 30 GIEDLO N#Cc1ccc(Oc2ccc(NC(=O)NCCn3cc[nH+]c3)cc2Cl)cc1 ZINC000056750790 823206872 /nfs/dbraw/zinc/20/68/72/823206872.db2.gz CSVVTIFIERTUCP-UHFFFAOYSA-N 1 2 381.823 4.022 20 30 GIEDLO N#CC1(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CCCCC1 ZINC000057387848 823287498 /nfs/dbraw/zinc/28/74/98/823287498.db2.gz AUNDGCVSIKKFIZ-KRWDZBQOSA-N 1 2 377.891 4.206 20 30 GIEDLO CC(C)CCN(CCC#N)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000176882941 823316790 /nfs/dbraw/zinc/31/67/90/823316790.db2.gz JAGLKGSEFGRQJS-KDURUIRLSA-N 1 2 386.540 4.089 20 30 GIEDLO CC(C)CCN(CCC#N)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000176882941 823316795 /nfs/dbraw/zinc/31/67/95/823316795.db2.gz JAGLKGSEFGRQJS-KDURUIRLSA-N 1 2 386.540 4.089 20 30 GIEDLO COC(=O)c1c(C[NH+]2CCC(C#N)CC2)nc2ccccc2c1-c1ccccc1 ZINC000057872896 823343515 /nfs/dbraw/zinc/34/35/15/823343515.db2.gz UQLNHOOFXRUKGA-UHFFFAOYSA-N 1 2 385.467 4.424 20 30 GIEDLO N#Cc1csc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000572490628 823348796 /nfs/dbraw/zinc/34/87/96/823348796.db2.gz KLAPYTZZNOUQPH-UHFFFAOYSA-N 1 2 395.315 4.172 20 30 GIEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000177133400 823379380 /nfs/dbraw/zinc/37/93/80/823379380.db2.gz FJVAVZMKPLNRRP-UHFFFAOYSA-N 1 2 380.300 4.313 20 30 GIEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000177133400 823379387 /nfs/dbraw/zinc/37/93/87/823379387.db2.gz FJVAVZMKPLNRRP-UHFFFAOYSA-N 1 2 380.300 4.313 20 30 GIEDLO C[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000122795439 823413396 /nfs/dbraw/zinc/41/33/96/823413396.db2.gz QDXAMCDKSCTPBN-VGSWGCGISA-N 1 2 386.455 4.270 20 30 GIEDLO N#Cc1ccc(C[NH+]2CCN(Cc3coc(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000031083707 820736828 /nfs/dbraw/zinc/73/68/28/820736828.db2.gz NHYRPYNWPJPEDB-UHFFFAOYSA-N 1 2 392.890 4.184 20 30 GIEDLO COc1ccc(CC(N)=[NH+]OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000060455371 823529583 /nfs/dbraw/zinc/52/95/83/823529583.db2.gz VUGFRBYQMCPJEZ-UHFFFAOYSA-N 1 2 397.519 4.412 20 30 GIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000043468028 821411788 /nfs/dbraw/zinc/41/17/88/821411788.db2.gz GZRPLWOXVUYWEE-UHFFFAOYSA-N 1 2 389.286 4.215 20 30 GIEDLO C[C@@H](c1nc2ccccc2o1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000181042291 821607879 /nfs/dbraw/zinc/60/78/79/821607879.db2.gz KPQIHXRECACCHT-INIZCTEOSA-N 1 2 383.455 4.131 20 30 GIEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000047029049 822538374 /nfs/dbraw/zinc/53/83/74/822538374.db2.gz NANDHCRQJATVNH-DNVCBOLYSA-N 1 2 393.878 4.402 20 30 GIEDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)s1 ZINC000183932265 822549481 /nfs/dbraw/zinc/54/94/81/822549481.db2.gz CWHJHPXKCKEFSA-ZDUSSCGKSA-N 1 2 388.562 4.309 20 30 GIEDLO CC(C)COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000184162082 822588484 /nfs/dbraw/zinc/58/84/84/822588484.db2.gz NIDXBBMXIMRVKA-KBXCAEBGSA-N 1 2 389.883 4.135 20 30 GIEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)s1 ZINC000185036756 822727619 /nfs/dbraw/zinc/72/76/19/822727619.db2.gz CLOWTYHWAQAQTK-CQSZACIVSA-N 1 2 376.913 4.011 20 30 GIEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)s1 ZINC000185036739 822727655 /nfs/dbraw/zinc/72/76/55/822727655.db2.gz CLOWTYHWAQAQTK-AWEZNQCLSA-N 1 2 376.913 4.011 20 30 GIEDLO CCOc1ccccc1C[N@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000052164337 822791929 /nfs/dbraw/zinc/79/19/29/822791929.db2.gz GJYRCPCXEQSWTJ-UHFFFAOYSA-N 1 2 379.504 4.081 20 30 GIEDLO CCOc1ccccc1C[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000052164337 822791932 /nfs/dbraw/zinc/79/19/32/822791932.db2.gz GJYRCPCXEQSWTJ-UHFFFAOYSA-N 1 2 379.504 4.081 20 30 GIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)cc1 ZINC000053150896 822823733 /nfs/dbraw/zinc/82/37/33/822823733.db2.gz ZYWTUWPGSCMZAQ-INIZCTEOSA-N 1 2 383.517 4.013 20 30 GIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCc3sccc3[C@@H]2C)cc1 ZINC000053150896 822823737 /nfs/dbraw/zinc/82/37/37/822823737.db2.gz ZYWTUWPGSCMZAQ-INIZCTEOSA-N 1 2 383.517 4.013 20 30 GIEDLO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000185956212 822836983 /nfs/dbraw/zinc/83/69/83/822836983.db2.gz GDEPEBWTEYSUTF-CQSZACIVSA-N 1 2 396.438 4.149 20 30 GIEDLO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000185956195 822837012 /nfs/dbraw/zinc/83/70/12/822837012.db2.gz GDEPEBWTEYSUTF-AWEZNQCLSA-N 1 2 396.438 4.149 20 30 GIEDLO N#Cc1ccc(CNC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)s1 ZINC000569099303 822879782 /nfs/dbraw/zinc/87/97/82/822879782.db2.gz YFPICWSPNTVDIL-UHFFFAOYSA-N 1 2 377.473 4.141 20 30 GIEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(SCC#N)c2)C[C@H](C)O1 ZINC000175631017 823009815 /nfs/dbraw/zinc/00/98/15/823009815.db2.gz RABLINIHJLLTAB-IRXDYDNUSA-N 1 2 395.528 4.164 20 30 GIEDLO COC(=O)c1cccc(C[NH2+][C@H](CC(F)(F)F)c2ccccc2C)c1C#N ZINC000570388599 823032301 /nfs/dbraw/zinc/03/23/01/823032301.db2.gz DRJAHPMVQXXLEH-GOSISDBHSA-N 1 2 376.378 4.437 20 30 GIEDLO C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(C)[nH+]c1C ZINC000187287502 823037164 /nfs/dbraw/zinc/03/71/64/823037164.db2.gz RBDXKCXIAOPZBN-UHFFFAOYSA-N 1 2 384.480 4.486 20 30 GIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000411134878 823550918 /nfs/dbraw/zinc/55/09/18/823550918.db2.gz KNUORUHXYXERGC-QGZVFWFLSA-N 1 2 383.517 4.080 20 30 GIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000411134878 823550922 /nfs/dbraw/zinc/55/09/22/823550922.db2.gz KNUORUHXYXERGC-QGZVFWFLSA-N 1 2 383.517 4.080 20 30 GIEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000411191937 823555942 /nfs/dbraw/zinc/55/59/42/823555942.db2.gz KVRUDNZVVUTUMQ-QFBILLFUSA-N 1 2 399.516 4.397 20 30 GIEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000411191937 823555945 /nfs/dbraw/zinc/55/59/45/823555945.db2.gz KVRUDNZVVUTUMQ-QFBILLFUSA-N 1 2 399.516 4.397 20 30 GIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000125413036 823674342 /nfs/dbraw/zinc/67/43/42/823674342.db2.gz ICFSDJAMWKQTIS-SJORKVTESA-N 1 2 397.548 4.301 20 30 GIEDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)n1 ZINC000191456355 823687376 /nfs/dbraw/zinc/68/73/76/823687376.db2.gz ICJPPOLCIZYTOD-GOSISDBHSA-N 1 2 383.517 4.458 20 30 GIEDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2Cc2ccccc2C(C)(C)C#N)n1 ZINC000191456355 823687380 /nfs/dbraw/zinc/68/73/80/823687380.db2.gz ICJPPOLCIZYTOD-GOSISDBHSA-N 1 2 383.517 4.458 20 30 GIEDLO C=CCn1c(=O)c2ccsc2nc1SCc1ccc(-n2cc[nH+]c2)cc1 ZINC000191506297 823692890 /nfs/dbraw/zinc/69/28/90/823692890.db2.gz NNTHHDCNGDEYPR-UHFFFAOYSA-N 1 2 380.498 4.122 20 30 GIEDLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2Br)o1 ZINC000191839341 823792937 /nfs/dbraw/zinc/79/29/37/823792937.db2.gz JEERSFWEALSGHR-KRWDZBQOSA-N 1 2 375.266 4.397 20 30 GIEDLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2Br)o1 ZINC000191839341 823792942 /nfs/dbraw/zinc/79/29/42/823792942.db2.gz JEERSFWEALSGHR-KRWDZBQOSA-N 1 2 375.266 4.397 20 30 GIEDLO COc1ccccc1-c1nc(C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)no1 ZINC000192342919 823953677 /nfs/dbraw/zinc/95/36/77/823953677.db2.gz VJCYDVGWTLGIHZ-UHFFFAOYSA-N 1 2 392.434 4.136 20 30 GIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000170983490 824027602 /nfs/dbraw/zinc/02/76/02/824027602.db2.gz AAAHMPAELLEYLA-QFBILLFUSA-N 1 2 382.533 4.052 20 30 GIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000170983490 824027609 /nfs/dbraw/zinc/02/76/09/824027609.db2.gz AAAHMPAELLEYLA-QFBILLFUSA-N 1 2 382.533 4.052 20 30 GIEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000120765291 823059577 /nfs/dbraw/zinc/05/95/77/823059577.db2.gz MTPKQBDYZODMDG-JOCHJYFZSA-N 1 2 399.450 4.348 20 30 GIEDLO C=CCN(Cc1cccs1)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176004483 823093328 /nfs/dbraw/zinc/09/33/28/823093328.db2.gz IVWQTMMEJHYKRH-UHFFFAOYSA-N 1 2 398.576 4.181 20 30 GIEDLO C=C(C)[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000187611232 823097582 /nfs/dbraw/zinc/09/75/82/823097582.db2.gz YMODKRQCRDJGEA-HXUWFJFHSA-N 1 2 382.414 4.267 20 30 GIEDLO N#Cc1csc(CNc2[nH+]c3ccccc3n2Cc2ccc(Cl)cc2)n1 ZINC000570916424 823107232 /nfs/dbraw/zinc/10/72/32/823107232.db2.gz ZTQSQEGVVRNWLK-UHFFFAOYSA-N 1 2 379.876 4.100 20 30 GIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000459360944 823171592 /nfs/dbraw/zinc/17/15/92/823171592.db2.gz FFNTXMRFISTNMV-LBPRGKRZSA-N 1 2 396.394 4.321 20 30 GIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000459360944 823171595 /nfs/dbraw/zinc/17/15/95/823171595.db2.gz FFNTXMRFISTNMV-LBPRGKRZSA-N 1 2 396.394 4.321 20 30 GIEDLO C=CCn1c(C2CC2)nn(C[N@@H+](C)C[C@H](C)Cc2ccc(OC)cc2)c1=S ZINC000121445267 823185853 /nfs/dbraw/zinc/18/58/53/823185853.db2.gz FDUOTVOLDAPTPW-MRXNPFEDSA-N 1 2 386.565 4.254 20 30 GIEDLO C=CCn1c(C2CC2)nn(C[N@H+](C)C[C@H](C)Cc2ccc(OC)cc2)c1=S ZINC000121445267 823185858 /nfs/dbraw/zinc/18/58/58/823185858.db2.gz FDUOTVOLDAPTPW-MRXNPFEDSA-N 1 2 386.565 4.254 20 30 GIEDLO COCC[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000459505214 823206371 /nfs/dbraw/zinc/20/63/71/823206371.db2.gz HOEASUBTKWCOER-KRWDZBQOSA-N 1 2 393.365 4.353 20 30 GIEDLO N#Cc1cc(F)c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c(F)c1 ZINC000176460837 823212461 /nfs/dbraw/zinc/21/24/61/823212461.db2.gz OUBCTSCBUHSFPF-UHFFFAOYSA-N 1 2 378.382 4.289 20 30 GIEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000459544078 823216715 /nfs/dbraw/zinc/21/67/15/823216715.db2.gz ZMYMFWRRAHCPFD-UHFFFAOYSA-N 1 2 380.379 4.126 20 30 GIEDLO C[C@H](c1nnc(SCCCC(C)(C)C#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000177153921 823385162 /nfs/dbraw/zinc/38/51/62/823385162.db2.gz AUFUIAPXNGQALM-CQSZACIVSA-N 1 2 375.517 4.451 20 30 GIEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)s1 ZINC000177291292 823423056 /nfs/dbraw/zinc/42/30/56/823423056.db2.gz SFYYVWAZVNTJBV-GFCCVEGCSA-N 1 2 376.551 4.195 20 30 GIEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)s1 ZINC000177291292 823423059 /nfs/dbraw/zinc/42/30/59/823423059.db2.gz SFYYVWAZVNTJBV-GFCCVEGCSA-N 1 2 376.551 4.195 20 30 GIEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573196534 823464250 /nfs/dbraw/zinc/46/42/50/823464250.db2.gz KNTWBEAGRRGGRZ-BBTUJRGHSA-N 1 2 389.902 4.205 20 30 GIEDLO CC[N@H+]1CC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573196534 823464252 /nfs/dbraw/zinc/46/42/52/823464252.db2.gz KNTWBEAGRRGGRZ-BBTUJRGHSA-N 1 2 389.902 4.205 20 30 GIEDLO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)c1 ZINC000123786780 823540650 /nfs/dbraw/zinc/54/06/50/823540650.db2.gz AXZAXCQPPXCFPB-HXUWFJFHSA-N 1 2 379.508 4.024 20 30 GIEDLO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)c1 ZINC000123786780 823540653 /nfs/dbraw/zinc/54/06/53/823540653.db2.gz AXZAXCQPPXCFPB-HXUWFJFHSA-N 1 2 379.508 4.024 20 30 GIEDLO N#Cc1ccccc1-c1ccccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000042655341 821320597 /nfs/dbraw/zinc/32/05/97/821320597.db2.gz XBQNUVJGQMJECS-UHFFFAOYSA-N 1 2 382.467 4.150 20 30 GIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 ZINC000043264168 821383097 /nfs/dbraw/zinc/38/30/97/821383097.db2.gz MRVOBNMJNPBVKC-UHFFFAOYSA-N 1 2 389.286 4.215 20 30 GIEDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1OCC ZINC000181386112 821799151 /nfs/dbraw/zinc/79/91/51/821799151.db2.gz MKUJICYTHXGWLA-OAHLLOKOSA-N 1 2 392.459 4.256 20 30 GIEDLO C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000179356792 822470727 /nfs/dbraw/zinc/47/07/27/822470727.db2.gz KEZHFJRZHQPSHE-PBHICJAKSA-N 1 2 394.425 4.054 20 30 GIEDLO C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)[N@H+]1CCc2ccccc2C1 ZINC000179356792 822470733 /nfs/dbraw/zinc/47/07/33/822470733.db2.gz KEZHFJRZHQPSHE-PBHICJAKSA-N 1 2 394.425 4.054 20 30 GIEDLO N#Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)s1 ZINC000179420400 822479924 /nfs/dbraw/zinc/47/99/24/822479924.db2.gz OXYXGURCFYEFSY-UHFFFAOYSA-N 1 2 391.496 4.307 20 30 GIEDLO N#Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)s1 ZINC000179420400 822479925 /nfs/dbraw/zinc/47/99/25/822479925.db2.gz OXYXGURCFYEFSY-UHFFFAOYSA-N 1 2 391.496 4.307 20 30 GIEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000183686385 822511162 /nfs/dbraw/zinc/51/11/62/822511162.db2.gz FMZNITRRGXQDFX-MRXNPFEDSA-N 1 2 382.533 4.460 20 30 GIEDLO CCCc1c(NC(=O)NCc2c[nH+]c(C)cc2C)cnn1-c1cccc(C#N)c1 ZINC000455234197 822614343 /nfs/dbraw/zinc/61/43/43/822614343.db2.gz VNGVSPYDWKJRAG-UHFFFAOYSA-N 1 2 388.475 4.030 20 30 GIEDLO C[C@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C2CC2)o1 ZINC000048055589 822627864 /nfs/dbraw/zinc/62/78/64/822627864.db2.gz RWPKLMCYOLRDLU-LAUBAEHRSA-N 1 2 377.488 4.314 20 30 GIEDLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C2CC2)o1 ZINC000048055589 822627866 /nfs/dbraw/zinc/62/78/66/822627866.db2.gz RWPKLMCYOLRDLU-LAUBAEHRSA-N 1 2 377.488 4.314 20 30 GIEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(C(C)(C)C)cs1 ZINC000184477260 822642532 /nfs/dbraw/zinc/64/25/32/822642532.db2.gz RFJWCEKLYHEDKP-LLVKDONJSA-N 1 2 376.913 4.255 20 30 GIEDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)cs1 ZINC000184719829 822681555 /nfs/dbraw/zinc/68/15/55/822681555.db2.gz QLPIQQXFWNNHRO-LBPRGKRZSA-N 1 2 388.562 4.197 20 30 GIEDLO C[C@@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000184859917 822701975 /nfs/dbraw/zinc/70/19/75/822701975.db2.gz WYSAGASTQZVJCS-SRXHXZOOSA-N 1 2 394.519 4.312 20 30 GIEDLO C=CCc1cc(OCC)cc(C[N@@H+]2CCSC[C@@H]2c2nccs2)c1O ZINC000184885612 822707212 /nfs/dbraw/zinc/70/72/12/822707212.db2.gz MQPOZUMPZISMRR-QGZVFWFLSA-N 1 2 376.547 4.266 20 30 GIEDLO C=CCc1cc(OCC)cc(C[N@H+]2CCSC[C@@H]2c2nccs2)c1O ZINC000184885612 822707215 /nfs/dbraw/zinc/70/72/15/822707215.db2.gz MQPOZUMPZISMRR-QGZVFWFLSA-N 1 2 376.547 4.266 20 30 GIEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)s1 ZINC000185014300 822725528 /nfs/dbraw/zinc/72/55/28/822725528.db2.gz FORFIOFQJIBOAQ-HNNXBMFYSA-N 1 2 393.516 4.020 20 30 GIEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)c1 ZINC000185197034 822748125 /nfs/dbraw/zinc/74/81/25/822748125.db2.gz NOUNYBXFMZSUNF-UHFFFAOYSA-N 1 2 383.860 4.002 20 30 GIEDLO N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)o1 ZINC000052927497 822816090 /nfs/dbraw/zinc/81/60/90/822816090.db2.gz MRNYVWGIQRXVFI-UHFFFAOYSA-N 1 2 384.395 4.168 20 30 GIEDLO C=CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1cccc(C#N)c1 ZINC000174835206 822843778 /nfs/dbraw/zinc/84/37/78/822843778.db2.gz QZNJKGRJSAXSJE-UHFFFAOYSA-N 1 2 382.467 4.298 20 30 GIEDLO C=CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1cccc(C#N)c1 ZINC000174835206 822843783 /nfs/dbraw/zinc/84/37/83/822843783.db2.gz QZNJKGRJSAXSJE-UHFFFAOYSA-N 1 2 382.467 4.298 20 30 GIEDLO Cc1[nH]c2ccccc2c1C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000053742953 822846799 /nfs/dbraw/zinc/84/67/99/822846799.db2.gz GXFMYWPHQIBQQY-UHFFFAOYSA-N 1 2 378.501 4.228 20 30 GIEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H]1c1cccc(F)c1 ZINC000175150017 822892578 /nfs/dbraw/zinc/89/25/78/822892578.db2.gz HTSOICRJWBGNKD-VFNWGFHPSA-N 1 2 383.492 4.463 20 30 GIEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H]1c1cccc(F)c1 ZINC000175150017 822892580 /nfs/dbraw/zinc/89/25/80/822892580.db2.gz HTSOICRJWBGNKD-VFNWGFHPSA-N 1 2 383.492 4.463 20 30 GIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(Br)c(OC)s1 ZINC000569969225 822991157 /nfs/dbraw/zinc/99/11/57/822991157.db2.gz WXUZPVFIWMGZPR-UHFFFAOYSA-N 1 2 386.311 4.183 20 30 GIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(Br)c(OC)s1 ZINC000569969225 822991163 /nfs/dbraw/zinc/99/11/63/822991163.db2.gz WXUZPVFIWMGZPR-UHFFFAOYSA-N 1 2 386.311 4.183 20 30 GIEDLO C#CCCCCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000124650037 823614107 /nfs/dbraw/zinc/61/41/07/823614107.db2.gz UAOGCUAQJCJEIB-UHFFFAOYSA-N 1 2 386.499 4.201 20 30 GIEDLO COc1cccc(-c2nc(C[N@H+](C)Cc3ccc(C#N)cc3)cs2)c1OC ZINC000125272990 823664012 /nfs/dbraw/zinc/66/40/12/823664012.db2.gz FHVZTHIZVBSOEA-UHFFFAOYSA-N 1 2 379.485 4.331 20 30 GIEDLO COc1cccc(-c2nc(C[N@@H+](C)Cc3ccc(C#N)cc3)cs2)c1OC ZINC000125272990 823664014 /nfs/dbraw/zinc/66/40/14/823664014.db2.gz FHVZTHIZVBSOEA-UHFFFAOYSA-N 1 2 379.485 4.331 20 30 GIEDLO C=CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1cccc(C#N)c1 ZINC000063388176 823666202 /nfs/dbraw/zinc/66/62/02/823666202.db2.gz BPKLSGWNUOQUCM-UHFFFAOYSA-N 1 2 386.499 4.110 20 30 GIEDLO C=CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1cccc(C#N)c1 ZINC000063388176 823666204 /nfs/dbraw/zinc/66/62/04/823666204.db2.gz BPKLSGWNUOQUCM-UHFFFAOYSA-N 1 2 386.499 4.110 20 30 GIEDLO C=CC[N@@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)Cc1cccc(C#N)c1 ZINC000063388272 823666312 /nfs/dbraw/zinc/66/63/12/823666312.db2.gz RNWNWIWYBYQHMH-UHFFFAOYSA-N 1 2 375.516 4.374 20 30 GIEDLO C=CC[N@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)Cc1cccc(C#N)c1 ZINC000063388272 823666314 /nfs/dbraw/zinc/66/63/14/823666314.db2.gz RNWNWIWYBYQHMH-UHFFFAOYSA-N 1 2 375.516 4.374 20 30 GIEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000461963671 823774206 /nfs/dbraw/zinc/77/42/06/823774206.db2.gz IFHTUIPCYCWOFR-REWPJTCUSA-N 1 2 399.498 4.090 20 30 GIEDLO COC[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccc(F)c(F)c1 ZINC000191821919 823782975 /nfs/dbraw/zinc/78/29/75/823782975.db2.gz NNHPYZKPWJMCOA-QGZVFWFLSA-N 1 2 381.220 4.076 20 30 GIEDLO N#Cc1ccc(O[C@H]2CCN(c3[nH+]ccc4cc(C(F)(F)F)ccc43)C2)nc1 ZINC000575498210 823974421 /nfs/dbraw/zinc/97/44/21/823974421.db2.gz VAKZMEVZDDRJSI-INIZCTEOSA-N 1 2 384.361 4.178 20 30 GIEDLO C=CC[NH+]1CCN(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)CC1 ZINC001165034473 721872011 /nfs/dbraw/zinc/87/20/11/721872011.db2.gz LTZARGLDPRFMEK-UHFFFAOYSA-N 1 2 393.865 4.167 20 30 GIEDLO C=CC[NH+]1CCN(C(F)(F)c2cnc(Cl)c(-c3cccc(OC)c3)c2)CC1 ZINC001165034685 721873999 /nfs/dbraw/zinc/87/39/99/721873999.db2.gz MWPSYWNZYUCYQE-UHFFFAOYSA-N 1 2 393.865 4.264 20 30 GIEDLO C=C(C)[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000187534756 823083761 /nfs/dbraw/zinc/08/37/61/823083761.db2.gz NRHAWMFZJYOSTH-OAQYLSRUSA-N 1 2 396.441 4.326 20 30 GIEDLO N#CCCC[C@@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000458807291 823089560 /nfs/dbraw/zinc/08/95/60/823089560.db2.gz XNJDBBNIIDIZAO-HXUWFJFHSA-N 1 2 382.533 4.010 20 30 GIEDLO N#Cc1c(F)cccc1C[NH+]1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000571021956 823121385 /nfs/dbraw/zinc/12/13/85/823121385.db2.gz CDHZBKNJHMEEKD-HXUWFJFHSA-N 1 2 383.854 4.299 20 30 GIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](C)CCC2CCOCC2)c1=S ZINC000121188527 823134969 /nfs/dbraw/zinc/13/49/69/823134969.db2.gz AVVFSQBKRWSCQI-UHFFFAOYSA-N 1 2 390.528 4.112 20 30 GIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](C)CCC2CCOCC2)c1=S ZINC000121188527 823134972 /nfs/dbraw/zinc/13/49/72/823134972.db2.gz AVVFSQBKRWSCQI-UHFFFAOYSA-N 1 2 390.528 4.112 20 30 GIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000459360942 823171659 /nfs/dbraw/zinc/17/16/59/823171659.db2.gz FFNTXMRFISTNMV-GFCCVEGCSA-N 1 2 396.394 4.321 20 30 GIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000459360942 823171660 /nfs/dbraw/zinc/17/16/60/823171660.db2.gz FFNTXMRFISTNMV-GFCCVEGCSA-N 1 2 396.394 4.321 20 30 GIEDLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000007718443 817902486 /nfs/dbraw/zinc/90/24/86/817902486.db2.gz RPDKGZOGRAGMNU-LJQANCHMSA-N 1 2 399.878 4.004 20 30 GIEDLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000007718443 817902490 /nfs/dbraw/zinc/90/24/90/817902490.db2.gz RPDKGZOGRAGMNU-LJQANCHMSA-N 1 2 399.878 4.004 20 30 GIEDLO N#Cc1ccccc1CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000012135714 818143853 /nfs/dbraw/zinc/14/38/53/818143853.db2.gz WQOGEYWNRDLRFH-UHFFFAOYSA-N 1 2 389.528 4.417 20 30 GIEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]2c2ccccc2)nc1-c1cccnc1 ZINC000014308130 818233383 /nfs/dbraw/zinc/23/33/83/818233383.db2.gz SQNDDMBXKQNWOD-IBGZPJMESA-N 1 2 377.517 4.457 20 30 GIEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]2c2ccccc2)nc1-c1cccnc1 ZINC000014308130 818233392 /nfs/dbraw/zinc/23/33/92/818233392.db2.gz SQNDDMBXKQNWOD-IBGZPJMESA-N 1 2 377.517 4.457 20 30 GIEDLO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000015548148 818337004 /nfs/dbraw/zinc/33/70/04/818337004.db2.gz OESXPTLXDOAMRJ-FQEVSTJZSA-N 1 2 383.879 4.386 20 30 GIEDLO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000015548148 818337011 /nfs/dbraw/zinc/33/70/11/818337011.db2.gz OESXPTLXDOAMRJ-FQEVSTJZSA-N 1 2 383.879 4.386 20 30 GIEDLO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000015548149 818337065 /nfs/dbraw/zinc/33/70/65/818337065.db2.gz OESXPTLXDOAMRJ-HXUWFJFHSA-N 1 2 383.879 4.386 20 30 GIEDLO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000015548149 818337072 /nfs/dbraw/zinc/33/70/72/818337072.db2.gz OESXPTLXDOAMRJ-HXUWFJFHSA-N 1 2 383.879 4.386 20 30 GIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000122908716 823432655 /nfs/dbraw/zinc/43/26/55/823432655.db2.gz JXWYACATGJNQPW-UHFFFAOYSA-N 1 2 395.846 4.151 20 30 GIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000122908716 823432658 /nfs/dbraw/zinc/43/26/58/823432658.db2.gz JXWYACATGJNQPW-UHFFFAOYSA-N 1 2 395.846 4.151 20 30 GIEDLO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026328397 820085043 /nfs/dbraw/zinc/08/50/43/820085043.db2.gz PLVNIJXRDOKXLO-HSZRJFAPSA-N 1 2 385.467 4.379 20 30 GIEDLO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026328397 820085055 /nfs/dbraw/zinc/08/50/55/820085055.db2.gz PLVNIJXRDOKXLO-HSZRJFAPSA-N 1 2 385.467 4.379 20 30 GIEDLO CC1(C(=O)Nc2cccc3[nH+]ccn32)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000573132359 823451902 /nfs/dbraw/zinc/45/19/02/823451902.db2.gz UDAFHYZHPCILSD-UHFFFAOYSA-N 1 2 393.878 4.105 20 30 GIEDLO C=CC[N@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)Cc1ccc(OC)cc1 ZINC000059423189 823496105 /nfs/dbraw/zinc/49/61/05/823496105.db2.gz RMLXLWJUHVZUGL-UHFFFAOYSA-N 1 2 388.895 4.292 20 30 GIEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)Cc1ccc(OC)cc1 ZINC000059423189 823496109 /nfs/dbraw/zinc/49/61/09/823496109.db2.gz RMLXLWJUHVZUGL-UHFFFAOYSA-N 1 2 388.895 4.292 20 30 GIEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000042977911 821350426 /nfs/dbraw/zinc/35/04/26/821350426.db2.gz STFNUXRGCRFCTF-LJQANCHMSA-N 1 2 390.512 4.380 20 30 GIEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000042977911 821350436 /nfs/dbraw/zinc/35/04/36/821350436.db2.gz STFNUXRGCRFCTF-LJQANCHMSA-N 1 2 390.512 4.380 20 30 GIEDLO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCn2cc[nH+]c2)cc1Cl ZINC000043311965 821390376 /nfs/dbraw/zinc/39/03/76/821390376.db2.gz VTKUCFXZGNBVNO-GOSISDBHSA-N 1 2 379.851 4.014 20 30 GIEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(Br)cc1 ZINC000181112413 821639666 /nfs/dbraw/zinc/63/96/66/821639666.db2.gz UWVJBVBWECAQIK-GFCCVEGCSA-N 1 2 383.249 4.222 20 30 GIEDLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046526910 822481080 /nfs/dbraw/zinc/48/10/80/822481080.db2.gz VBDOAXNYJSINDC-ZIAGYGMSSA-N 1 2 392.528 4.174 20 30 GIEDLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046526910 822481081 /nfs/dbraw/zinc/48/10/81/822481081.db2.gz VBDOAXNYJSINDC-ZIAGYGMSSA-N 1 2 392.528 4.174 20 30 GIEDLO C[N@H+](Cc1nc(-c2cccc(Br)c2)no1)Cc1ccc(C#N)cc1 ZINC000046528151 822481370 /nfs/dbraw/zinc/48/13/70/822481370.db2.gz YVNGYZMOFLKBMY-UHFFFAOYSA-N 1 2 383.249 4.003 20 30 GIEDLO C[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)Cc1ccc(C#N)cc1 ZINC000046528151 822481372 /nfs/dbraw/zinc/48/13/72/822481372.db2.gz YVNGYZMOFLKBMY-UHFFFAOYSA-N 1 2 383.249 4.003 20 30 GIEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000047029048 822538415 /nfs/dbraw/zinc/53/84/15/822538415.db2.gz NANDHCRQJATVNH-HNAYVOBHSA-N 1 2 393.878 4.402 20 30 GIEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000047029047 822538503 /nfs/dbraw/zinc/53/85/03/822538503.db2.gz NANDHCRQJATVNH-BEFAXECRSA-N 1 2 393.878 4.402 20 30 GIEDLO N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H]3Cn3cc[nH+]c3)c2)cc1 ZINC000180469044 822687624 /nfs/dbraw/zinc/68/76/24/822687624.db2.gz KDVPOVJVZMZGHB-IBGZPJMESA-N 1 2 387.443 4.244 20 30 GIEDLO Cc1[nH]c2ccccc2c1C1=CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000174595011 822809675 /nfs/dbraw/zinc/80/96/75/822809675.db2.gz YXNMLYYVNQVJHI-KRWDZBQOSA-N 1 2 384.483 4.464 20 30 GIEDLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000174595011 822809679 /nfs/dbraw/zinc/80/96/79/822809679.db2.gz YXNMLYYVNQVJHI-KRWDZBQOSA-N 1 2 384.483 4.464 20 30 GIEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(Br)cs2)c(C#N)c1C ZINC000052847970 822812961 /nfs/dbraw/zinc/81/29/61/822812961.db2.gz KNSWKKNZUJLCOG-SNVBAGLBSA-N 1 2 396.310 4.051 20 30 GIEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(Br)cs2)c(C#N)c1C ZINC000052847970 822812964 /nfs/dbraw/zinc/81/29/64/822812964.db2.gz KNSWKKNZUJLCOG-SNVBAGLBSA-N 1 2 396.310 4.051 20 30 GIEDLO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186293228 822872153 /nfs/dbraw/zinc/87/21/53/822872153.db2.gz VFAMKUGGDFQSPH-JKSUJKDBSA-N 1 2 393.516 4.110 20 30 GIEDLO N#Cc1csc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000175691192 823021354 /nfs/dbraw/zinc/02/13/54/823021354.db2.gz ZIUJPZWSSWJWSA-UHFFFAOYSA-N 1 2 387.508 4.167 20 30 GIEDLO N#CCSc1cccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000175776427 823037603 /nfs/dbraw/zinc/03/76/03/823037603.db2.gz LXSGIMVKZBFGJE-UHFFFAOYSA-N 1 2 380.517 4.008 20 30 GIEDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2SCC#N)CC[C@H]1C(F)(F)F ZINC000190176028 823546461 /nfs/dbraw/zinc/54/64/61/823546461.db2.gz IKHHGLJYZVVWOX-OAHLLOKOSA-N 1 2 385.455 4.151 20 30 GIEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2SCC#N)CC[C@H]1C(F)(F)F ZINC000190176028 823546467 /nfs/dbraw/zinc/54/64/67/823546467.db2.gz IKHHGLJYZVVWOX-OAHLLOKOSA-N 1 2 385.455 4.151 20 30 GIEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000411191933 823556010 /nfs/dbraw/zinc/55/60/10/823556010.db2.gz KVRUDNZVVUTUMQ-LPHOPBHVSA-N 1 2 399.516 4.397 20 30 GIEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000411191933 823556012 /nfs/dbraw/zinc/55/60/12/823556012.db2.gz KVRUDNZVVUTUMQ-LPHOPBHVSA-N 1 2 399.516 4.397 20 30 GIEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1Br ZINC000063754548 823693726 /nfs/dbraw/zinc/69/37/26/823693726.db2.gz BWPOXGJVKKJUDU-UHFFFAOYSA-N 1 2 377.257 4.108 20 30 GIEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1Br ZINC000063754548 823693729 /nfs/dbraw/zinc/69/37/29/823693729.db2.gz BWPOXGJVKKJUDU-UHFFFAOYSA-N 1 2 377.257 4.108 20 30 GIEDLO COc1ccccc1-c1csc(C2CC[NH+](C[C@H](C#N)CCC#N)CC2)n1 ZINC000191511831 823693795 /nfs/dbraw/zinc/69/37/95/823693795.db2.gz LPUZNTWXSBTTOE-INIZCTEOSA-N 1 2 380.517 4.442 20 30 GIEDLO C[C@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000461903636 823747129 /nfs/dbraw/zinc/74/71/29/823747129.db2.gz VPTXFNFSRCUYAY-YWZLYKJASA-N 1 2 399.897 4.408 20 30 GIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000191918744 823811554 /nfs/dbraw/zinc/81/15/54/823811554.db2.gz RBXWOECFOBMWSU-UHFFFAOYSA-N 1 2 383.496 4.048 20 30 GIEDLO C#CC[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)[C@H]1CCc2ccccc21 ZINC000164908100 823825201 /nfs/dbraw/zinc/82/52/01/823825201.db2.gz FCNKBWHMVDPQMA-HNNXBMFYSA-N 1 2 398.260 4.215 20 30 GIEDLO C#CC[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)[C@H]1CCc2ccccc21 ZINC000164908100 823825209 /nfs/dbraw/zinc/82/52/09/823825209.db2.gz FCNKBWHMVDPQMA-HNNXBMFYSA-N 1 2 398.260 4.215 20 30 GIEDLO C=CC[N@@H+](Cc1cn2ccc(Br)cc2n1)Cc1cccc(C#N)c1 ZINC000574801380 823831200 /nfs/dbraw/zinc/83/12/00/823831200.db2.gz DYBNJJCPOQGLEV-UHFFFAOYSA-N 1 2 381.277 4.157 20 30 GIEDLO C=CC[N@H+](Cc1cn2ccc(Br)cc2n1)Cc1cccc(C#N)c1 ZINC000574801380 823831211 /nfs/dbraw/zinc/83/12/11/823831211.db2.gz DYBNJJCPOQGLEV-UHFFFAOYSA-N 1 2 381.277 4.157 20 30 GIEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000462236314 823888393 /nfs/dbraw/zinc/88/83/93/823888393.db2.gz LGFDKLHIAMHOCY-QFIPXVFZSA-N 1 2 386.923 4.452 20 30 GIEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccccc2C(F)(F)F)cc1 ZINC000575117444 823916378 /nfs/dbraw/zinc/91/63/78/823916378.db2.gz OHRSNJLBNSVHAF-MRXNPFEDSA-N 1 2 393.409 4.116 20 30 GIEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccccc2C(F)(F)F)cc1 ZINC000575117444 823916383 /nfs/dbraw/zinc/91/63/83/823916383.db2.gz OHRSNJLBNSVHAF-MRXNPFEDSA-N 1 2 393.409 4.116 20 30 GIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000575460020 823972539 /nfs/dbraw/zinc/97/25/39/823972539.db2.gz KQFUFSVLKUNXFB-APWZRJJASA-N 1 2 380.517 4.109 20 30 GIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000575460020 823972544 /nfs/dbraw/zinc/97/25/44/823972544.db2.gz KQFUFSVLKUNXFB-APWZRJJASA-N 1 2 380.517 4.109 20 30 GIEDLO Cc1cccc2c1CC[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C2 ZINC000170987587 824028613 /nfs/dbraw/zinc/02/86/13/824028613.db2.gz NPYRXNFLVTWLJU-QGZVFWFLSA-N 1 2 379.529 4.386 20 30 GIEDLO Cc1cccc2c1CC[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C2 ZINC000170987587 824028618 /nfs/dbraw/zinc/02/86/18/824028618.db2.gz NPYRXNFLVTWLJU-QGZVFWFLSA-N 1 2 379.529 4.386 20 30 GIEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2)cc1 ZINC000120858138 823078214 /nfs/dbraw/zinc/07/82/14/823078214.db2.gz GRHIPRGDYAUMHN-JOCHJYFZSA-N 1 2 385.423 4.039 20 30 GIEDLO C=CC[N@H+](Cc1csc(-c2ccoc2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000571708344 823222238 /nfs/dbraw/zinc/22/22/38/823222238.db2.gz CQOMJSJXZBHALW-HNNXBMFYSA-N 1 2 392.488 4.128 20 30 GIEDLO C=CC[N@@H+](Cc1csc(-c2ccoc2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000571708344 823222245 /nfs/dbraw/zinc/22/22/45/823222245.db2.gz CQOMJSJXZBHALW-HNNXBMFYSA-N 1 2 392.488 4.128 20 30 GIEDLO N#Cc1ccccc1Cn1cccc1C[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000188490456 823250050 /nfs/dbraw/zinc/25/00/50/823250050.db2.gz HAPVCRZCSKLTEQ-UHFFFAOYSA-N 1 2 379.467 4.155 20 30 GIEDLO C[C@H](c1nnc(SCc2ccccc2C#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000006831893 817718284 /nfs/dbraw/zinc/71/82/84/817718284.db2.gz DTGPTTIPBNERIW-CQSZACIVSA-N 1 2 381.480 4.193 20 30 GIEDLO N#Cc1cccnc1N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000015417981 818324017 /nfs/dbraw/zinc/32/40/17/818324017.db2.gz SPWRQFPTWBURTI-UHFFFAOYSA-N 1 2 390.437 4.143 20 30 GIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3ccc(-c4ccccc4)o3)CC2)cc1 ZINC000017843201 818530812 /nfs/dbraw/zinc/53/08/12/818530812.db2.gz RNRWRAIJNKHHGG-UHFFFAOYSA-N 1 2 399.494 4.095 20 30 GIEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)Cc1cccs1 ZINC000019540629 818594704 /nfs/dbraw/zinc/59/47/04/818594704.db2.gz JSJNVBUBMOCKDE-AWEZNQCLSA-N 1 2 393.350 4.376 20 30 GIEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)Cc1cccs1 ZINC000019540629 818594709 /nfs/dbraw/zinc/59/47/09/818594709.db2.gz JSJNVBUBMOCKDE-AWEZNQCLSA-N 1 2 393.350 4.376 20 30 GIEDLO N#Cc1ncccc1N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000460403235 823377726 /nfs/dbraw/zinc/37/77/26/823377726.db2.gz QMGJYNNECRYJAD-UHFFFAOYSA-N 1 2 390.437 4.143 20 30 GIEDLO N#CCC[C@H](C#N)CN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000024096100 819022827 /nfs/dbraw/zinc/02/28/27/819022827.db2.gz BIRQOYUZWLMSNR-GOSISDBHSA-N 1 2 394.469 4.115 20 30 GIEDLO CC(C)(C#N)CCCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000177156240 823385715 /nfs/dbraw/zinc/38/57/15/823385715.db2.gz BWWCZHYMGNXZJG-UHFFFAOYSA-N 1 2 383.565 4.344 20 30 GIEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000189476685 823425384 /nfs/dbraw/zinc/42/53/84/823425384.db2.gz SPAVCFWVKZHEHL-UHFFFAOYSA-N 1 2 375.432 4.101 20 30 GIEDLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000189506182 823433425 /nfs/dbraw/zinc/43/34/25/823433425.db2.gz HIEKWQIKYHKKDT-MGPUTAFESA-N 1 2 383.879 4.002 20 30 GIEDLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000189506182 823433427 /nfs/dbraw/zinc/43/34/27/823433427.db2.gz HIEKWQIKYHKKDT-MGPUTAFESA-N 1 2 383.879 4.002 20 30 GIEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)CCCC1 ZINC000030248139 820591177 /nfs/dbraw/zinc/59/11/77/820591177.db2.gz AXAQMVURHAEWPC-UHFFFAOYSA-N 1 2 397.519 4.282 20 30 GIEDLO COc1ncc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)n1 ZINC000410418609 823491701 /nfs/dbraw/zinc/49/17/01/823491701.db2.gz DHRQJFJIQSYVTF-UHFFFAOYSA-N 1 2 376.435 4.007 20 30 GIEDLO COc1ncc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)n1 ZINC000410418609 823491706 /nfs/dbraw/zinc/49/17/06/823491706.db2.gz DHRQJFJIQSYVTF-UHFFFAOYSA-N 1 2 376.435 4.007 20 30 GIEDLO C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)c1ccc(C#N)cc1 ZINC000043546138 821423943 /nfs/dbraw/zinc/42/39/43/821423943.db2.gz NMAMRGGBMVEXPM-GJZGRUSLSA-N 1 2 383.521 4.129 20 30 GIEDLO C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)c1ccc(C#N)cc1 ZINC000043546138 821423952 /nfs/dbraw/zinc/42/39/52/821423952.db2.gz NMAMRGGBMVEXPM-GJZGRUSLSA-N 1 2 383.521 4.129 20 30 GIEDLO C[N@H+](Cc1nnc(-c2ccccc2Br)o1)Cc1ccc(C#N)cc1 ZINC000046527605 822481317 /nfs/dbraw/zinc/48/13/17/822481317.db2.gz OSZAYOQYTBZYIV-UHFFFAOYSA-N 1 2 383.249 4.003 20 30 GIEDLO C[N@@H+](Cc1nnc(-c2ccccc2Br)o1)Cc1ccc(C#N)cc1 ZINC000046527605 822481320 /nfs/dbraw/zinc/48/13/20/822481320.db2.gz OSZAYOQYTBZYIV-UHFFFAOYSA-N 1 2 383.249 4.003 20 30 GIEDLO C[C@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000179876519 822569810 /nfs/dbraw/zinc/56/98/10/822569810.db2.gz LIOHQRYKGQRFRV-FDDCHVKYSA-N 1 2 399.498 4.214 20 30 GIEDLO CC1CC[NH+](Cc2csc(NC(=O)CN(C)Cc3ccccc3F)n2)CC1 ZINC000051449192 822760442 /nfs/dbraw/zinc/76/04/42/822760442.db2.gz IQPYOXFIWXVJFQ-UHFFFAOYSA-N 1 2 390.528 4.234 20 30 GIEDLO COc1ccccc1C[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C1CC1 ZINC000052183900 822792591 /nfs/dbraw/zinc/79/25/91/822792591.db2.gz DPURGGATCKVFSV-UHFFFAOYSA-N 1 2 391.515 4.223 20 30 GIEDLO COc1ccccc1C[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C1CC1 ZINC000052183900 822792593 /nfs/dbraw/zinc/79/25/93/822792593.db2.gz DPURGGATCKVFSV-UHFFFAOYSA-N 1 2 391.515 4.223 20 30 GIEDLO CC(C)[N@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)Cc1ccc(C#N)cc1 ZINC000186294471 822872427 /nfs/dbraw/zinc/87/24/27/822872427.db2.gz MOGVFYITDMHPCY-UHFFFAOYSA-N 1 2 379.895 4.418 20 30 GIEDLO CC(C)[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)Cc1ccc(C#N)cc1 ZINC000186294471 822872430 /nfs/dbraw/zinc/87/24/30/822872430.db2.gz MOGVFYITDMHPCY-UHFFFAOYSA-N 1 2 379.895 4.418 20 30 GIEDLO CSc1ccc([C@H](CNC(=O)C(C)(C)C#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000055389048 822956552 /nfs/dbraw/zinc/95/65/52/822956552.db2.gz YGBZWNXTYMEIKF-SFHVURJKSA-N 1 2 399.585 4.235 20 30 GIEDLO CSc1ccc([C@H](CNC(=O)C(C)(C)C#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000055389048 822956554 /nfs/dbraw/zinc/95/65/54/822956554.db2.gz YGBZWNXTYMEIKF-SFHVURJKSA-N 1 2 399.585 4.235 20 30 GIEDLO C=CCOc1ccc(C[N@@H+](Cc2ccc(S(C)(=O)=O)o2)C(C)(C)C)cc1 ZINC000411340528 823565405 /nfs/dbraw/zinc/56/54/05/823565405.db2.gz ANSGWJKOQNHAQR-UHFFFAOYSA-N 1 2 377.506 4.049 20 30 GIEDLO C=CCOc1ccc(C[N@H+](Cc2ccc(S(C)(=O)=O)o2)C(C)(C)C)cc1 ZINC000411340528 823565408 /nfs/dbraw/zinc/56/54/08/823565408.db2.gz ANSGWJKOQNHAQR-UHFFFAOYSA-N 1 2 377.506 4.049 20 30 GIEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)cc1 ZINC000124198949 823576684 /nfs/dbraw/zinc/57/66/84/823576684.db2.gz DWOGMQCBOWXQNA-UHFFFAOYSA-N 1 2 399.454 4.100 20 30 GIEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000124996852 823643622 /nfs/dbraw/zinc/64/36/22/823643622.db2.gz JAVBJNNFAHWZTE-PBHICJAKSA-N 1 2 393.409 4.190 20 30 GIEDLO CSc1ccc([C@H](CNC(=O)CCCC#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000461903315 823746408 /nfs/dbraw/zinc/74/64/08/823746408.db2.gz PBLQUZSTQVSSLX-IBGZPJMESA-N 1 2 399.585 4.379 20 30 GIEDLO CSc1ccc([C@H](CNC(=O)CCCC#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000461903315 823746412 /nfs/dbraw/zinc/74/64/12/823746412.db2.gz PBLQUZSTQVSSLX-IBGZPJMESA-N 1 2 399.585 4.379 20 30 GIEDLO CSc1ccc([C@@H](CNC(=O)CCCC#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000461903316 823746443 /nfs/dbraw/zinc/74/64/43/823746443.db2.gz PBLQUZSTQVSSLX-LJQANCHMSA-N 1 2 399.585 4.379 20 30 GIEDLO CSc1ccc([C@@H](CNC(=O)CCCC#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000461903316 823746446 /nfs/dbraw/zinc/74/64/46/823746446.db2.gz PBLQUZSTQVSSLX-LJQANCHMSA-N 1 2 399.585 4.379 20 30 GIEDLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2Br)o1 ZINC000191839352 823792679 /nfs/dbraw/zinc/79/26/79/823792679.db2.gz JEERSFWEALSGHR-QGZVFWFLSA-N 1 2 375.266 4.397 20 30 GIEDLO COCc1ccc([C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2Br)o1 ZINC000191839352 823792685 /nfs/dbraw/zinc/79/26/85/823792685.db2.gz JEERSFWEALSGHR-QGZVFWFLSA-N 1 2 375.266 4.397 20 30 GIEDLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)c(F)c1 ZINC000191905739 823809412 /nfs/dbraw/zinc/80/94/12/823809412.db2.gz WKSBSKSIQKBADF-UHFFFAOYSA-N 1 2 379.357 4.177 20 30 GIEDLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)c(F)c1 ZINC000191905739 823809415 /nfs/dbraw/zinc/80/94/15/823809415.db2.gz WKSBSKSIQKBADF-UHFFFAOYSA-N 1 2 379.357 4.177 20 30 GIEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000413840508 823849145 /nfs/dbraw/zinc/84/91/45/823849145.db2.gz VOMGXMGAGBSXMH-QFIPXVFZSA-N 1 2 380.536 4.272 20 30 GIEDLO C=C(C)[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000574966444 823875499 /nfs/dbraw/zinc/87/54/99/823875499.db2.gz LMEDONYVXNNOGZ-QFIPXVFZSA-N 1 2 381.426 4.186 20 30 GIEDLO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc(C#N)c1 ZINC000462259965 823903213 /nfs/dbraw/zinc/90/32/13/823903213.db2.gz NYINWNWQUQTHMQ-QTJFZDIUSA-N 1 2 385.870 4.016 20 30 GIEDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc(C#N)c1 ZINC000462259965 823903221 /nfs/dbraw/zinc/90/32/21/823903221.db2.gz NYINWNWQUQTHMQ-QTJFZDIUSA-N 1 2 385.870 4.016 20 30 GIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(Br)cc2c1OCC2 ZINC000575586172 823978175 /nfs/dbraw/zinc/97/81/75/823978175.db2.gz AVUHGHGCCXFNCJ-UHFFFAOYSA-N 1 2 392.293 4.048 20 30 GIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(Br)cc2c1OCC2 ZINC000575586172 823978178 /nfs/dbraw/zinc/97/81/78/823978178.db2.gz AVUHGHGCCXFNCJ-UHFFFAOYSA-N 1 2 392.293 4.048 20 30 GIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(Cl)s2)cc1 ZINC000010101164 206807089 /nfs/dbraw/zinc/80/70/89/206807089.db2.gz CPFCCVFJSLBFGM-UHFFFAOYSA-N 1 2 391.924 4.179 20 30 GIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(Cl)s2)cc1 ZINC000010101164 206807092 /nfs/dbraw/zinc/80/70/92/206807092.db2.gz CPFCCVFJSLBFGM-UHFFFAOYSA-N 1 2 391.924 4.179 20 30 GIEDLO C=C(C)[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000187490180 823074145 /nfs/dbraw/zinc/07/41/45/823074145.db2.gz AXWPQRHQWDGVDA-NRFANRHFSA-N 1 2 396.441 4.326 20 30 GIEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000571122886 823135780 /nfs/dbraw/zinc/13/57/80/823135780.db2.gz KQLCKYHKWZONLP-CQSZACIVSA-N 1 2 388.298 4.384 20 30 GIEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000176216769 823154895 /nfs/dbraw/zinc/15/48/95/823154895.db2.gz ZZNGZZKSIVINHP-INIZCTEOSA-N 1 2 382.485 4.161 20 30 GIEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000176216769 823154899 /nfs/dbraw/zinc/15/48/99/823154899.db2.gz ZZNGZZKSIVINHP-INIZCTEOSA-N 1 2 382.485 4.161 20 30 GIEDLO CCOC(=O)c1oc2ccc(Br)cc2c1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000459444128 823193403 /nfs/dbraw/zinc/19/34/03/823193403.db2.gz ADCCKBUWMUGDNR-NHYWBVRUSA-N 1 2 391.265 4.154 20 30 GIEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000459462667 823197116 /nfs/dbraw/zinc/19/71/16/823197116.db2.gz KBDOUKOMDYXGQI-FZMZJTMJSA-N 1 2 395.315 4.337 20 30 GIEDLO CCc1nc2ccccc2n1C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459468020 823198374 /nfs/dbraw/zinc/19/83/74/823198374.db2.gz LHIHVLLXWYZWRF-UHFFFAOYSA-N 1 2 389.459 4.216 20 30 GIEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000056750699 823206948 /nfs/dbraw/zinc/20/69/48/823206948.db2.gz QNZGFEJBZOWLSN-AWEZNQCLSA-N 1 2 395.850 4.411 20 30 GIEDLO C=CCn1c(SCc2cn3cc(C)ccc3[nH+]2)nnc1-c1ccccc1OC ZINC000005692065 817609959 /nfs/dbraw/zinc/60/99/59/817609959.db2.gz APWWSXXMWPMDCU-UHFFFAOYSA-N 1 2 391.500 4.388 20 30 GIEDLO CN(C(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)C1(C#N)CCCCC1 ZINC000015050011 818286715 /nfs/dbraw/zinc/28/67/15/818286715.db2.gz GLEJHFLAVWFCDJ-FQEVSTJZSA-N 1 2 399.585 4.442 20 30 GIEDLO CN(C(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1)C1(C#N)CCCCC1 ZINC000015050011 818286725 /nfs/dbraw/zinc/28/67/25/818286725.db2.gz GLEJHFLAVWFCDJ-FQEVSTJZSA-N 1 2 399.585 4.442 20 30 GIEDLO Cc1ccc(SCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000017843481 818531033 /nfs/dbraw/zinc/53/10/33/818531033.db2.gz ABWYYVHYRSJFAN-UHFFFAOYSA-N 1 2 393.556 4.002 20 30 GIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000018175750 818554086 /nfs/dbraw/zinc/55/40/86/818554086.db2.gz YPPXBVXBJTYMAS-UHFFFAOYSA-N 1 2 389.286 4.215 20 30 GIEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(C#N)ccc2OC(C)C)c1C ZINC000058636785 823421284 /nfs/dbraw/zinc/42/12/84/823421284.db2.gz UTUSXKUDXHQONC-UHFFFAOYSA-N 1 2 382.464 4.030 20 30 GIEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189537422 823439948 /nfs/dbraw/zinc/43/99/48/823439948.db2.gz QAJPHEXMSRXBDR-IEBWSBKVSA-N 1 2 386.858 4.226 20 30 GIEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189537422 823439952 /nfs/dbraw/zinc/43/99/52/823439952.db2.gz QAJPHEXMSRXBDR-IEBWSBKVSA-N 1 2 386.858 4.226 20 30 GIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000026475068 820101429 /nfs/dbraw/zinc/10/14/29/820101429.db2.gz XQQHJMQQMOBHRJ-RUZDIDTESA-N 1 2 398.510 4.324 20 30 GIEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)s2)c(C#N)c1C ZINC000026814657 820148423 /nfs/dbraw/zinc/14/84/23/820148423.db2.gz IOXJLAVGGQXYSD-SNVBAGLBSA-N 1 2 396.310 4.051 20 30 GIEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Br)s2)c(C#N)c1C ZINC000026814657 820148426 /nfs/dbraw/zinc/14/84/26/820148426.db2.gz IOXJLAVGGQXYSD-SNVBAGLBSA-N 1 2 396.310 4.051 20 30 GIEDLO C=CC[N@@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)Cc1ccccc1 ZINC000027777098 820285794 /nfs/dbraw/zinc/28/57/94/820285794.db2.gz FAGKEQHVWQTDQU-UHFFFAOYSA-N 1 2 386.879 4.128 20 30 GIEDLO C=CC[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)Cc1ccccc1 ZINC000027777098 820285797 /nfs/dbraw/zinc/28/57/97/820285797.db2.gz FAGKEQHVWQTDQU-UHFFFAOYSA-N 1 2 386.879 4.128 20 30 GIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)Cc2ccsc2)c1C#N ZINC000028638590 820346604 /nfs/dbraw/zinc/34/66/04/820346604.db2.gz BWWJQCLFOVXXQK-UHFFFAOYSA-N 1 2 396.491 4.237 20 30 GIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)Cc2ccsc2)c1C#N ZINC000028638590 820346614 /nfs/dbraw/zinc/34/66/14/820346614.db2.gz BWWJQCLFOVXXQK-UHFFFAOYSA-N 1 2 396.491 4.237 20 30 GIEDLO CCCCn1c(SCc2ccc(C#N)cc2F)nnc1[C@@H](CC)[NH+](C)C ZINC000029595422 820481039 /nfs/dbraw/zinc/48/10/39/820481039.db2.gz PKILEAVPVNYSKK-QGZVFWFLSA-N 1 2 375.517 4.394 20 30 GIEDLO CCCCn1c(SCc2ccc(C#N)cc2F)nnc1[C@H](CC)[NH+](C)C ZINC000029595423 820481191 /nfs/dbraw/zinc/48/11/91/820481191.db2.gz PKILEAVPVNYSKK-KRWDZBQOSA-N 1 2 375.517 4.394 20 30 GIEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000123482166 823513320 /nfs/dbraw/zinc/51/33/20/823513320.db2.gz WJALEIQPIQTPCI-UHFFFAOYSA-N 1 2 375.432 4.101 20 30 GIEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000042385303 821306035 /nfs/dbraw/zinc/30/60/35/821306035.db2.gz MCEHPZBIFLXDLQ-AWEZNQCLSA-N 1 2 391.924 4.177 20 30 GIEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000042385303 821306042 /nfs/dbraw/zinc/30/60/42/821306042.db2.gz MCEHPZBIFLXDLQ-AWEZNQCLSA-N 1 2 391.924 4.177 20 30 GIEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000042977913 821350628 /nfs/dbraw/zinc/35/06/28/821350628.db2.gz STFNUXRGCRFCTF-IBGZPJMESA-N 1 2 390.512 4.380 20 30 GIEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000042977913 821350636 /nfs/dbraw/zinc/35/06/36/821350636.db2.gz STFNUXRGCRFCTF-IBGZPJMESA-N 1 2 390.512 4.380 20 30 GIEDLO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccc(F)c(F)c1 ZINC000181231442 821709419 /nfs/dbraw/zinc/70/94/19/821709419.db2.gz AZSGMZKNHGNSRK-QGZVFWFLSA-N 1 2 381.220 4.076 20 30 GIEDLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C2CC2)o1 ZINC000048055587 822627769 /nfs/dbraw/zinc/62/77/69/822627769.db2.gz RWPKLMCYOLRDLU-DYESRHJHSA-N 1 2 377.488 4.314 20 30 GIEDLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C2CC2)o1 ZINC000048055587 822627772 /nfs/dbraw/zinc/62/77/72/822627772.db2.gz RWPKLMCYOLRDLU-DYESRHJHSA-N 1 2 377.488 4.314 20 30 GIEDLO Cn1cc(C[NH2+][C@@H](c2nccs2)c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180156003 822628826 /nfs/dbraw/zinc/62/88/26/822628826.db2.gz AEVYBJQVMKACDJ-OAQYLSRUSA-N 1 2 385.496 4.294 20 30 GIEDLO CC(C)[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccn1 ZINC000048272869 822650730 /nfs/dbraw/zinc/65/07/30/822650730.db2.gz XCMIYQUJQNBBNI-UHFFFAOYSA-N 1 2 382.533 4.133 20 30 GIEDLO CC(C)[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccn1 ZINC000048272869 822650732 /nfs/dbraw/zinc/65/07/32/822650732.db2.gz XCMIYQUJQNBBNI-UHFFFAOYSA-N 1 2 382.533 4.133 20 30 GIEDLO COC(=O)c1ccc(-c2nc(C[N@H+](C)Cc3cccc(C#N)c3)cs2)cc1 ZINC000050959862 822743211 /nfs/dbraw/zinc/74/32/11/822743211.db2.gz RZYFMJCQVHTTJN-UHFFFAOYSA-N 1 2 377.469 4.100 20 30 GIEDLO COC(=O)c1ccc(-c2nc(C[N@@H+](C)Cc3cccc(C#N)c3)cs2)cc1 ZINC000050959862 822743214 /nfs/dbraw/zinc/74/32/14/822743214.db2.gz RZYFMJCQVHTTJN-UHFFFAOYSA-N 1 2 377.469 4.100 20 30 GIEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(CC#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000455903070 822745602 /nfs/dbraw/zinc/74/56/02/822745602.db2.gz IFBMGPYOKDMFKT-MOPGFXCFSA-N 1 2 386.858 4.112 20 30 GIEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(CC#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000455903070 822745604 /nfs/dbraw/zinc/74/56/04/822745604.db2.gz IFBMGPYOKDMFKT-MOPGFXCFSA-N 1 2 386.858 4.112 20 30 GIEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000456002565 822764965 /nfs/dbraw/zinc/76/49/65/822764965.db2.gz NAAIOLLRNHIYPG-UHFFFAOYSA-N 1 2 377.492 4.032 20 30 GIEDLO COC1CC[NH+](CC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)CC1 ZINC000052337296 822796634 /nfs/dbraw/zinc/79/66/34/822796634.db2.gz FCFZDNFVYZFGNU-UHFFFAOYSA-N 1 2 379.913 4.471 20 30 GIEDLO N#Cc1ccccc1-c1ccc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000053323698 822830416 /nfs/dbraw/zinc/83/04/16/822830416.db2.gz UCBMWTFBMKABEK-UHFFFAOYSA-N 1 2 387.508 4.245 20 30 GIEDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2Cc2ccc(N(C)CCC#N)cc2)n1 ZINC000191829834 823788030 /nfs/dbraw/zinc/78/80/30/823788030.db2.gz RCCKQHJFEYIMBT-LJQANCHMSA-N 1 2 398.532 4.007 20 30 GIEDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2Cc2ccc(N(C)CCC#N)cc2)n1 ZINC000191829834 823788039 /nfs/dbraw/zinc/78/80/39/823788039.db2.gz RCCKQHJFEYIMBT-LJQANCHMSA-N 1 2 398.532 4.007 20 30 GIEDLO C=CCc1cc(OC)cc(C[N@H+](C)Cc2nccn2Cc2ccccc2)c1O ZINC000164417076 823801785 /nfs/dbraw/zinc/80/17/85/823801785.db2.gz GMVPFHFBANSAOK-UHFFFAOYSA-N 1 2 377.488 4.006 20 30 GIEDLO C=CCc1cc(OC)cc(C[N@@H+](C)Cc2nccn2Cc2ccccc2)c1O ZINC000164417076 823801795 /nfs/dbraw/zinc/80/17/95/823801795.db2.gz GMVPFHFBANSAOK-UHFFFAOYSA-N 1 2 377.488 4.006 20 30 GIEDLO N#CCCCC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000462030969 823803244 /nfs/dbraw/zinc/80/32/44/823803244.db2.gz LCHIHUJAQJIXQS-QFIPXVFZSA-N 1 2 381.907 4.267 20 30 GIEDLO CCOc1c(Br)cc(Br)cc1C[NH2+]CC(C)(C)C#N ZINC000168940874 823907522 /nfs/dbraw/zinc/90/75/22/823907522.db2.gz YJOHBZMGCMSLCU-UHFFFAOYSA-N 1 2 390.119 4.250 20 30 GIEDLO N#CCCSc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000170971145 824023104 /nfs/dbraw/zinc/02/31/04/824023104.db2.gz JPRHNCRYVOGMDV-UHFFFAOYSA-N 1 2 393.428 4.039 20 30 GIEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000055873685 823058054 /nfs/dbraw/zinc/05/80/54/823058054.db2.gz ZTDAWBQNYDXEGQ-RTWAWAEBSA-N 1 2 387.886 4.213 20 30 GIEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000121131843 823123632 /nfs/dbraw/zinc/12/36/32/823123632.db2.gz HWUOCUFSQLELGP-INIZCTEOSA-N 1 2 376.570 4.253 20 30 GIEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000121131843 823123634 /nfs/dbraw/zinc/12/36/34/823123634.db2.gz HWUOCUFSQLELGP-INIZCTEOSA-N 1 2 376.570 4.253 20 30 GIEDLO N#Cc1ccc(OC2CC[NH+](Cc3cccc(O)c3Br)CC2)cc1 ZINC000459337196 823164235 /nfs/dbraw/zinc/16/42/35/823164235.db2.gz KKEKVLZZSUVWSV-UHFFFAOYSA-N 1 2 387.277 4.070 20 30 GIEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)s1 ZINC000122196174 823320402 /nfs/dbraw/zinc/32/04/02/823320402.db2.gz TWIOSHWXEZHKGW-GFCCVEGCSA-N 1 2 376.913 4.171 20 30 GIEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)s1 ZINC000122196174 823320408 /nfs/dbraw/zinc/32/04/08/823320408.db2.gz TWIOSHWXEZHKGW-GFCCVEGCSA-N 1 2 376.913 4.171 20 30 GIEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000014321500 818234678 /nfs/dbraw/zinc/23/46/78/818234678.db2.gz AEZRVNHECBCIJR-OAHLLOKOSA-N 1 2 395.890 4.134 20 30 GIEDLO CCC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1C ZINC000572487675 823348561 /nfs/dbraw/zinc/34/85/61/823348561.db2.gz NOAIPZHCDOACDV-MRXNPFEDSA-N 1 2 380.448 4.014 20 30 GIEDLO CCC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1C ZINC000572487675 823348569 /nfs/dbraw/zinc/34/85/69/823348569.db2.gz NOAIPZHCDOACDV-MRXNPFEDSA-N 1 2 380.448 4.014 20 30 GIEDLO C[C@H]1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000122795627 823413447 /nfs/dbraw/zinc/41/34/47/823413447.db2.gz QDXAMCDKSCTPBN-JTSKRJEESA-N 1 2 386.455 4.270 20 30 GIEDLO N#Cc1cccc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)c1 ZINC000024969139 819902444 /nfs/dbraw/zinc/90/24/44/819902444.db2.gz GCVDAXVAWCSSLJ-UHFFFAOYSA-N 1 2 389.528 4.086 20 30 GIEDLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026325396 820084337 /nfs/dbraw/zinc/08/43/37/820084337.db2.gz VYJYVEDWTUKVNZ-KGLIPLIRSA-N 1 2 392.528 4.174 20 30 GIEDLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026325396 820084347 /nfs/dbraw/zinc/08/43/47/820084347.db2.gz VYJYVEDWTUKVNZ-KGLIPLIRSA-N 1 2 392.528 4.174 20 30 GIEDLO C[N@H+](CC(=O)Nc1c(Cl)cccc1C(F)(F)F)Cc1cccc(C#N)c1 ZINC000026327342 820084910 /nfs/dbraw/zinc/08/49/10/820084910.db2.gz VSZFEYPLVMYOQH-UHFFFAOYSA-N 1 2 381.785 4.301 20 30 GIEDLO C[N@@H+](CC(=O)Nc1c(Cl)cccc1C(F)(F)F)Cc1cccc(C#N)c1 ZINC000026327342 820084917 /nfs/dbraw/zinc/08/49/17/820084917.db2.gz VSZFEYPLVMYOQH-UHFFFAOYSA-N 1 2 381.785 4.301 20 30 GIEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c(Br)c1 ZINC000180911188 821532458 /nfs/dbraw/zinc/53/24/58/821532458.db2.gz GUJAYNSBOUVVMP-UHFFFAOYSA-N 1 2 383.289 4.416 20 30 GIEDLO COc1cc(C[N@H+](Cc2ccc(C#N)cc2Br)C2CC2)ccc1O ZINC000181203480 821695015 /nfs/dbraw/zinc/69/50/15/821695015.db2.gz RELKHSVYJUHLIM-UHFFFAOYSA-N 1 2 387.277 4.200 20 30 GIEDLO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2Br)C2CC2)ccc1O ZINC000181203480 821695020 /nfs/dbraw/zinc/69/50/20/821695020.db2.gz RELKHSVYJUHLIM-UHFFFAOYSA-N 1 2 387.277 4.200 20 30 GIEDLO COc1cc(Br)ccc1CCC[N@H+](CCC#N)Cc1ccccn1 ZINC000181958849 822046112 /nfs/dbraw/zinc/04/61/12/822046112.db2.gz QGXLJGKVNMDQJO-UHFFFAOYSA-N 1 2 388.309 4.201 20 30 GIEDLO COc1cc(Br)ccc1CCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000181958849 822046121 /nfs/dbraw/zinc/04/61/21/822046121.db2.gz QGXLJGKVNMDQJO-UHFFFAOYSA-N 1 2 388.309 4.201 20 30 GIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc2c(cc1Br)OCCO2 ZINC000178783229 822409593 /nfs/dbraw/zinc/40/95/93/822409593.db2.gz SBEYONGSMCLBHH-LLVKDONJSA-N 1 2 391.240 4.082 20 30 GIEDLO C[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cc1ccc(C#N)cc1 ZINC000046518939 822480403 /nfs/dbraw/zinc/48/04/03/822480403.db2.gz JMAZWIBZQJISSW-UHFFFAOYSA-N 1 2 381.785 4.301 20 30 GIEDLO C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cc1ccc(C#N)cc1 ZINC000046518939 822480406 /nfs/dbraw/zinc/48/04/06/822480406.db2.gz JMAZWIBZQJISSW-UHFFFAOYSA-N 1 2 381.785 4.301 20 30 GIEDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000183958486 822553759 /nfs/dbraw/zinc/55/37/59/822553759.db2.gz CUDLRMGGWCFYAZ-UHFFFAOYSA-N 1 2 388.562 4.117 20 30 GIEDLO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)cc2)c1 ZINC000180474810 822688336 /nfs/dbraw/zinc/68/83/36/822688336.db2.gz FLYWCPCALQGPAX-LJQANCHMSA-N 1 2 387.443 4.244 20 30 GIEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)c1C ZINC000455801241 822728925 /nfs/dbraw/zinc/72/89/25/822728925.db2.gz SKQWXUQLLIBRRH-UHFFFAOYSA-N 1 2 396.491 4.420 20 30 GIEDLO CC(C)(C)Oc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1C#N ZINC000455805309 822729490 /nfs/dbraw/zinc/72/94/90/822729490.db2.gz XGSNSYKPRYZAPZ-UHFFFAOYSA-N 1 2 393.491 4.052 20 30 GIEDLO C=CCc1cc(C[NH2+][C@@H](C)c2nc(-c3cccc(OC)c3)no2)cc(OC)c1O ZINC000174655244 822818523 /nfs/dbraw/zinc/81/85/23/822818523.db2.gz YVXXVSIQXUUONR-AWEZNQCLSA-N 1 2 395.459 4.039 20 30 GIEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2nc(-c3cccc(OC)c3)no2)cc1OC ZINC000174659249 822819684 /nfs/dbraw/zinc/81/96/84/822819684.db2.gz OONRPCHXNBAVHM-HNNXBMFYSA-N 1 2 395.459 4.169 20 30 GIEDLO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)cc1F ZINC000186666079 822932825 /nfs/dbraw/zinc/93/28/25/822932825.db2.gz QAOBRDKDTWHSGU-UHFFFAOYSA-N 1 2 399.897 4.188 20 30 GIEDLO C[C@@H](c1nnc(S[C@H](C#N)c2ccccc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000569709363 822957564 /nfs/dbraw/zinc/95/75/64/822957564.db2.gz CLDXWTCALIUMBS-KBXCAEBGSA-N 1 2 381.480 4.386 20 30 GIEDLO CC(C)(c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)c1cc(F)cc(C#N)c1 ZINC000569766304 822965797 /nfs/dbraw/zinc/96/57/97/822965797.db2.gz BNLGEJOFUUVVRN-UHFFFAOYSA-N 1 2 387.418 4.318 20 30 GIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(c2ccsc2)CC1 ZINC000186914971 822979377 /nfs/dbraw/zinc/97/93/77/822979377.db2.gz FZXHPWGTCBETGD-ZDUSSCGKSA-N 1 2 385.558 4.377 20 30 GIEDLO N#C[C@@H](C(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1nc2ccccc2s1 ZINC000570116027 823007014 /nfs/dbraw/zinc/00/70/14/823007014.db2.gz MNQUHXBIGUVMSS-KRWDZBQOSA-N 1 2 393.537 4.335 20 30 GIEDLO C[C@@H]1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000124907475 823635855 /nfs/dbraw/zinc/63/58/55/823635855.db2.gz NQGIIIYXIQPANX-VGSWGCGISA-N 1 2 385.471 4.222 20 30 GIEDLO COc1cccc(-c2nc(C[N@H+](C)Cc3cccc(C#N)c3)cs2)c1OC ZINC000125225921 823660383 /nfs/dbraw/zinc/66/03/83/823660383.db2.gz WMVJYOFXCPRUEC-UHFFFAOYSA-N 1 2 379.485 4.331 20 30 GIEDLO COc1cccc(-c2nc(C[N@@H+](C)Cc3cccc(C#N)c3)cs2)c1OC ZINC000125225921 823660385 /nfs/dbraw/zinc/66/03/85/823660385.db2.gz WMVJYOFXCPRUEC-UHFFFAOYSA-N 1 2 379.485 4.331 20 30 GIEDLO C=CC[N@@H+](CC(=O)N(CC)[C@H](C)c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000063299985 823660858 /nfs/dbraw/zinc/66/08/58/823660858.db2.gz WMOBZVFUIUIMQU-GOSISDBHSA-N 1 2 379.479 4.295 20 30 GIEDLO C=CC[N@H+](CC(=O)N(CC)[C@H](C)c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000063299985 823660861 /nfs/dbraw/zinc/66/08/61/823660861.db2.gz WMOBZVFUIUIMQU-GOSISDBHSA-N 1 2 379.479 4.295 20 30 GIEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000125878919 823734927 /nfs/dbraw/zinc/73/49/27/823734927.db2.gz XRGRLYUGXBFRLI-UHFFFAOYSA-N 1 2 393.422 4.240 20 30 GIEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000462236313 823888433 /nfs/dbraw/zinc/88/84/33/823888433.db2.gz LGFDKLHIAMHOCY-JOCHJYFZSA-N 1 2 386.923 4.452 20 30 GIEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000462364015 823942090 /nfs/dbraw/zinc/94/20/90/823942090.db2.gz GGPJHNGHNORGSJ-MRXNPFEDSA-N 1 2 383.517 4.028 20 30 GIEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000462364015 823942098 /nfs/dbraw/zinc/94/20/98/823942098.db2.gz GGPJHNGHNORGSJ-MRXNPFEDSA-N 1 2 383.517 4.028 20 30 GIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000575460022 823972749 /nfs/dbraw/zinc/97/27/49/823972749.db2.gz KQFUFSVLKUNXFB-QFBILLFUSA-N 1 2 380.517 4.109 20 30 GIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000575460022 823972754 /nfs/dbraw/zinc/97/27/54/823972754.db2.gz KQFUFSVLKUNXFB-QFBILLFUSA-N 1 2 380.517 4.109 20 30 GIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000170983488 824027229 /nfs/dbraw/zinc/02/72/29/824027229.db2.gz DORMANLMIIRRNX-VQIMIIECSA-N 1 2 382.533 4.195 20 30 GIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000170983488 824027233 /nfs/dbraw/zinc/02/72/33/824027233.db2.gz DORMANLMIIRRNX-VQIMIIECSA-N 1 2 382.533 4.195 20 30 GIEDLO Cc1cccc2c1CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C2 ZINC000170987590 824028690 /nfs/dbraw/zinc/02/86/90/824028690.db2.gz HAEMFYPYXRWCHN-INIZCTEOSA-N 1 2 379.529 4.244 20 30 GIEDLO Cc1cccc2c1CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C2 ZINC000170987590 824028694 /nfs/dbraw/zinc/02/86/94/824028694.db2.gz HAEMFYPYXRWCHN-INIZCTEOSA-N 1 2 379.529 4.244 20 30 GIEDLO C=CC[NH+]1CCN(C(F)(F)c2ccc3nc(Cl)c(C#N)c(Cl)c3c2)CC1 ZINC001165034004 721873963 /nfs/dbraw/zinc/87/39/63/721873963.db2.gz BOOWDGOGLYKIDB-UHFFFAOYSA-N 1 2 397.256 4.266 20 30 GIEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000120765127 823059665 /nfs/dbraw/zinc/05/96/65/823059665.db2.gz MTPKQBDYZODMDG-QFIPXVFZSA-N 1 2 399.450 4.348 20 30 GIEDLO Cc1ccc2nc(-c3ccc(NC(=O)C[NH2+][C@H]4CCC[C@@H]4C#N)cc3)sc2c1 ZINC000459471137 823199263 /nfs/dbraw/zinc/19/92/63/823199263.db2.gz VGCZLQBSTYWHNL-AEFFLSMTSA-N 1 2 390.512 4.492 20 30 GIEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1C ZINC000459643252 823236382 /nfs/dbraw/zinc/23/63/82/823236382.db2.gz NZBVWEZZJGGEDZ-IBGZPJMESA-N 1 2 398.469 4.155 20 30 GIEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1C ZINC000459643252 823236385 /nfs/dbraw/zinc/23/63/85/823236385.db2.gz NZBVWEZZJGGEDZ-IBGZPJMESA-N 1 2 398.469 4.155 20 30 GIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)Cc2cccs2)c1C#N ZINC000012811149 818183477 /nfs/dbraw/zinc/18/34/77/818183477.db2.gz DTCZDIUERNXOQY-UHFFFAOYSA-N 1 2 378.501 4.098 20 30 GIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)Cc2cccs2)c1C#N ZINC000012811149 818183482 /nfs/dbraw/zinc/18/34/82/818183482.db2.gz DTCZDIUERNXOQY-UHFFFAOYSA-N 1 2 378.501 4.098 20 30 GIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1Br)Cc1cccs1 ZINC000019540454 818594683 /nfs/dbraw/zinc/59/46/83/818594683.db2.gz RRTQVEJJJSPBPV-UHFFFAOYSA-N 1 2 379.323 4.446 20 30 GIEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1Br)Cc1cccs1 ZINC000019540454 818594689 /nfs/dbraw/zinc/59/46/89/818594689.db2.gz RRTQVEJJJSPBPV-UHFFFAOYSA-N 1 2 379.323 4.446 20 30 GIEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1cccs1 ZINC000019540635 818594814 /nfs/dbraw/zinc/59/48/14/818594814.db2.gz BLCNQIIGQRIHDC-UHFFFAOYSA-N 1 2 397.544 4.047 20 30 GIEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1cccs1 ZINC000019540635 818594822 /nfs/dbraw/zinc/59/48/22/818594822.db2.gz BLCNQIIGQRIHDC-UHFFFAOYSA-N 1 2 397.544 4.047 20 30 GIEDLO C[C@@H](c1nnc(SCCCC(C)(C)C#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000177153910 823385307 /nfs/dbraw/zinc/38/53/07/823385307.db2.gz AUFUIAPXNGQALM-AWEZNQCLSA-N 1 2 375.517 4.451 20 30 GIEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c(C#N)c1C ZINC000177252594 823409947 /nfs/dbraw/zinc/40/99/47/823409947.db2.gz RGSYFAQUQPJSJW-OAHLLOKOSA-N 1 2 394.500 4.196 20 30 GIEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c(C#N)c1C ZINC000177252594 823409951 /nfs/dbraw/zinc/40/99/51/823409951.db2.gz RGSYFAQUQPJSJW-OAHLLOKOSA-N 1 2 394.500 4.196 20 30 GIEDLO Cc1sc(NC(=O)C[NH+]2CCC(Nc3cccc(C)c3)CC2)c(C#N)c1C ZINC000177290928 823422973 /nfs/dbraw/zinc/42/29/73/823422973.db2.gz GKIQWTXOBVODIL-UHFFFAOYSA-N 1 2 382.533 4.060 20 30 GIEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000122850185 823422986 /nfs/dbraw/zinc/42/29/86/823422986.db2.gz ULXDQJSZDSLTCY-UHFFFAOYSA-N 1 2 375.432 4.101 20 30 GIEDLO Cc1cc(C(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c(C)n1Cc1cccs1 ZINC000026327656 820084764 /nfs/dbraw/zinc/08/47/64/820084764.db2.gz JTHCRZZONKZJKX-UHFFFAOYSA-N 1 2 377.513 4.401 20 30 GIEDLO Cc1cc(C(=O)C[N@H+](C)Cc2cccc(C#N)c2)c(C)n1Cc1cccs1 ZINC000026327656 820084768 /nfs/dbraw/zinc/08/47/68/820084768.db2.gz JTHCRZZONKZJKX-UHFFFAOYSA-N 1 2 377.513 4.401 20 30 GIEDLO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026328393 820084890 /nfs/dbraw/zinc/08/48/90/820084890.db2.gz PLVNIJXRDOKXLO-QHCPKHFHSA-N 1 2 385.467 4.379 20 30 GIEDLO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026328393 820084897 /nfs/dbraw/zinc/08/48/97/820084897.db2.gz PLVNIJXRDOKXLO-QHCPKHFHSA-N 1 2 385.467 4.379 20 30 GIEDLO C=CCCc1ccccc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000410368955 823477203 /nfs/dbraw/zinc/47/72/03/823477203.db2.gz VJIZESSQPLXTKE-UHFFFAOYSA-N 1 2 388.471 4.283 20 30 GIEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](CC)Cc2ccccc2C)c1=S ZINC000123712516 823534113 /nfs/dbraw/zinc/53/41/13/823534113.db2.gz QCHIEDMJLCNLSM-UHFFFAOYSA-N 1 2 379.533 4.450 20 30 GIEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](CC)Cc2ccccc2C)c1=S ZINC000123712516 823534118 /nfs/dbraw/zinc/53/41/18/823534118.db2.gz QCHIEDMJLCNLSM-UHFFFAOYSA-N 1 2 379.533 4.450 20 30 GIEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(OCC2CC2)c(F)c1 ZINC000181573668 821885142 /nfs/dbraw/zinc/88/51/42/821885142.db2.gz LQPXEZIFYDZCGI-AWEZNQCLSA-N 1 2 392.434 4.387 20 30 GIEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CCC[C@H]2c2ccccc2C)c1=S ZINC000177983084 822268648 /nfs/dbraw/zinc/26/86/48/822268648.db2.gz VUBYCIPUSGUIGN-IBGZPJMESA-N 1 2 392.532 4.160 20 30 GIEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CCC[C@H]2c2ccccc2C)c1=S ZINC000177983084 822268649 /nfs/dbraw/zinc/26/86/49/822268649.db2.gz VUBYCIPUSGUIGN-IBGZPJMESA-N 1 2 392.532 4.160 20 30 GIEDLO N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178067745 822307779 /nfs/dbraw/zinc/30/77/79/822307779.db2.gz ZAFVTPGIWZHCPN-UHFFFAOYSA-N 1 2 398.491 4.428 20 30 GIEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1C ZINC000183199435 822440265 /nfs/dbraw/zinc/44/02/65/822440265.db2.gz YIJGVOVAMJIDSO-UHFFFAOYSA-N 1 2 394.441 4.026 20 30 GIEDLO C[C@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000047052436 822540749 /nfs/dbraw/zinc/54/07/49/822540749.db2.gz MZGZJGMGSVFVMB-KSZLIROESA-N 1 2 392.503 4.050 20 30 GIEDLO C[C@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000047052436 822540753 /nfs/dbraw/zinc/54/07/53/822540753.db2.gz MZGZJGMGSVFVMB-KSZLIROESA-N 1 2 392.503 4.050 20 30 GIEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000184086898 822576105 /nfs/dbraw/zinc/57/61/05/822576105.db2.gz CPLRFSXQRNZNQC-NSHDSACASA-N 1 2 378.226 4.399 20 30 GIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000180319355 822662829 /nfs/dbraw/zinc/66/28/29/822662829.db2.gz ZAGOLAUDWRDIIT-GFOMBABLSA-N 1 2 380.419 4.317 20 30 GIEDLO C[C@@H]1CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000455770909 822723405 /nfs/dbraw/zinc/72/34/05/822723405.db2.gz MYLPBYPEMRAFPB-QAPCUYQASA-N 1 2 381.480 4.047 20 30 GIEDLO Cn1cc([C@@H]([NH2+]Cc2ccc(C#N)cc2Br)c2ccc(F)cc2)cn1 ZINC000185415588 822781097 /nfs/dbraw/zinc/78/10/97/822781097.db2.gz KOKBLCPCCOMQFV-IBGZPJMESA-N 1 2 399.267 4.073 20 30 GIEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cnc3c(C#N)cnn3c2)ccc1Br ZINC000569605803 822943967 /nfs/dbraw/zinc/94/39/67/822943967.db2.gz UNEAVTYZGJGXFV-SFHVURJKSA-N 1 2 396.292 4.009 20 30 GIEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cnc3c(C#N)cnn3c2)ccc1Br ZINC000569605803 822943968 /nfs/dbraw/zinc/94/39/68/822943968.db2.gz UNEAVTYZGJGXFV-SFHVURJKSA-N 1 2 396.292 4.009 20 30 GIEDLO C=C(C)[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(F)c(F)c1 ZINC000187277415 823035573 /nfs/dbraw/zinc/03/55/73/823035573.db2.gz UWOQURLFKTUNKO-FQEVSTJZSA-N 1 2 386.446 4.077 20 30 GIEDLO N#Cc1ccc(C[N@@H+](CC(=O)NCc2ccccc2)Cc2cccc(F)c2)cc1 ZINC000064620877 823853752 /nfs/dbraw/zinc/85/37/52/823853752.db2.gz NQVDLYDDPXFICA-UHFFFAOYSA-N 1 2 387.458 4.016 20 30 GIEDLO N#Cc1ccc(C[N@H+](CC(=O)NCc2ccccc2)Cc2cccc(F)c2)cc1 ZINC000064620877 823853759 /nfs/dbraw/zinc/85/37/59/823853759.db2.gz NQVDLYDDPXFICA-UHFFFAOYSA-N 1 2 387.458 4.016 20 30 GIEDLO C=CCNC(=O)C[N@@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC000064632478 823855877 /nfs/dbraw/zinc/85/58/77/823855877.db2.gz SQODCTVTFMSWOQ-UHFFFAOYSA-N 1 2 378.394 4.232 20 30 GIEDLO C=CCNC(=O)C[N@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC000064632478 823855879 /nfs/dbraw/zinc/85/58/79/823855879.db2.gz SQODCTVTFMSWOQ-UHFFFAOYSA-N 1 2 378.394 4.232 20 30 GIEDLO N#CCCCC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000462243365 823892904 /nfs/dbraw/zinc/89/29/04/823892904.db2.gz BZQORVUKUXEADI-JOCHJYFZSA-N 1 2 381.907 4.267 20 30 GIEDLO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc(C#N)c1 ZINC000462259953 823902859 /nfs/dbraw/zinc/90/28/59/823902859.db2.gz NYINWNWQUQTHMQ-CJMONDIMSA-N 1 2 385.870 4.016 20 30 GIEDLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc(C#N)c1 ZINC000462259953 823902865 /nfs/dbraw/zinc/90/28/65/823902865.db2.gz NYINWNWQUQTHMQ-CJMONDIMSA-N 1 2 385.870 4.016 20 30 GIEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000414098927 823909007 /nfs/dbraw/zinc/90/90/07/823909007.db2.gz PRWIDIHAFMWTTF-LJQANCHMSA-N 1 2 393.512 4.307 20 30 GIEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000414098927 823909015 /nfs/dbraw/zinc/90/90/15/823909015.db2.gz PRWIDIHAFMWTTF-LJQANCHMSA-N 1 2 393.512 4.307 20 30 GIEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc4ccc(F)cc4s3)CC2)c(F)c1 ZINC000575095242 823911285 /nfs/dbraw/zinc/91/12/85/823911285.db2.gz DIRYAWUJHPCTFY-UHFFFAOYSA-N 1 2 385.439 4.490 20 30 GIEDLO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000414558137 824011732 /nfs/dbraw/zinc/01/17/32/824011732.db2.gz RKYBQKGHYFTQRK-UHFFFAOYSA-N 1 2 376.485 4.156 20 30 GIEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)[C@@H]2CCc3ccccc32)c1=S ZINC000192515648 824017315 /nfs/dbraw/zinc/01/73/15/824017315.db2.gz JTNABJXCVACZIJ-LJQANCHMSA-N 1 2 377.517 4.239 20 30 GIEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)[C@@H]2CCc3ccccc32)c1=S ZINC000192515648 824017318 /nfs/dbraw/zinc/01/73/18/824017318.db2.gz JTNABJXCVACZIJ-LJQANCHMSA-N 1 2 377.517 4.239 20 30 GIEDLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](CCCC#N)c2ccccc2)c1C ZINC000458796333 823086946 /nfs/dbraw/zinc/08/69/46/823086946.db2.gz DPDJNMQHGVIHDT-IBGZPJMESA-N 1 2 380.492 4.284 20 30 GIEDLO C=C(C)[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000187653774 823106070 /nfs/dbraw/zinc/10/60/70/823106070.db2.gz JWORSMNMQKEMGR-FQEVSTJZSA-N 1 2 382.414 4.267 20 30 GIEDLO C=CCn1c(C2CC2)nn(C[N@@H+](C)C[C@@H](C)Cc2ccc(OC)cc2)c1=S ZINC000121445111 823185694 /nfs/dbraw/zinc/18/56/94/823185694.db2.gz FDUOTVOLDAPTPW-INIZCTEOSA-N 1 2 386.565 4.254 20 30 GIEDLO C=CCn1c(C2CC2)nn(C[N@H+](C)C[C@@H](C)Cc2ccc(OC)cc2)c1=S ZINC000121445111 823185700 /nfs/dbraw/zinc/18/57/00/823185700.db2.gz FDUOTVOLDAPTPW-INIZCTEOSA-N 1 2 386.565 4.254 20 30 GIEDLO N#CC1(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CCCCC1 ZINC000057387847 823287586 /nfs/dbraw/zinc/28/75/86/823287586.db2.gz AUNDGCVSIKKFIZ-QGZVFWFLSA-N 1 2 377.891 4.206 20 30 GIEDLO CC[C@H](C)[N@H+](CC#Cc1cccc(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000122159522 823314680 /nfs/dbraw/zinc/31/46/80/823314680.db2.gz GGPMJWHPMUDPTE-INIZCTEOSA-N 1 2 379.891 4.229 20 30 GIEDLO CC[C@H](C)[N@@H+](CC#Cc1cccc(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000122159522 823314687 /nfs/dbraw/zinc/31/46/87/823314687.db2.gz GGPMJWHPMUDPTE-INIZCTEOSA-N 1 2 379.891 4.229 20 30 GIEDLO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2SCC#N)cc1 ZINC000015548478 818336952 /nfs/dbraw/zinc/33/69/52/818336952.db2.gz AICGTNFZNIEMIS-FQEVSTJZSA-N 1 2 395.528 4.477 20 30 GIEDLO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2SCC#N)cc1 ZINC000015548478 818336958 /nfs/dbraw/zinc/33/69/58/818336958.db2.gz AICGTNFZNIEMIS-FQEVSTJZSA-N 1 2 395.528 4.477 20 30 GIEDLO N#Cc1ccc(C[NH+]2CCN(Cc3csc(-c4ccsc4)n3)CC2)cc1 ZINC000022778975 818860234 /nfs/dbraw/zinc/86/02/34/818860234.db2.gz OKFQPPWSIFSELP-UHFFFAOYSA-N 1 2 380.542 4.061 20 30 GIEDLO C[C@H]1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000122796090 823413745 /nfs/dbraw/zinc/41/37/45/823413745.db2.gz QDXAMCDKSCTPBN-HTAPYJJXSA-N 1 2 386.455 4.270 20 30 GIEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2OC(F)(F)F)c(C#N)c1C ZINC000025255806 819951549 /nfs/dbraw/zinc/95/15/49/819951549.db2.gz YJCGYIAAJMRPMY-LBPRGKRZSA-N 1 2 395.381 4.126 20 30 GIEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2OC(F)(F)F)c(C#N)c1C ZINC000025255806 819951556 /nfs/dbraw/zinc/95/15/56/819951556.db2.gz YJCGYIAAJMRPMY-LBPRGKRZSA-N 1 2 395.381 4.126 20 30 GIEDLO C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)Cc1cccc(C#N)c1 ZINC000026328762 820084646 /nfs/dbraw/zinc/08/46/46/820084646.db2.gz BZZLBPDGTSKNRU-UHFFFAOYSA-N 1 2 392.684 4.045 20 30 GIEDLO C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)Cc1cccc(C#N)c1 ZINC000026328762 820084656 /nfs/dbraw/zinc/08/46/56/820084656.db2.gz BZZLBPDGTSKNRU-UHFFFAOYSA-N 1 2 392.684 4.045 20 30 GIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000026475060 820101370 /nfs/dbraw/zinc/10/13/70/820101370.db2.gz XQQHJMQQMOBHRJ-VWLOTQADSA-N 1 2 398.510 4.324 20 30 GIEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c(C#N)c1C ZINC000029829281 820527641 /nfs/dbraw/zinc/52/76/41/820527641.db2.gz UBHJWCYJKGMSDQ-GDBMZVCRSA-N 1 2 392.459 4.116 20 30 GIEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c(C#N)c1C ZINC000029829281 820527648 /nfs/dbraw/zinc/52/76/48/820527648.db2.gz UBHJWCYJKGMSDQ-GDBMZVCRSA-N 1 2 392.459 4.116 20 30 GIEDLO Cc1ccc(S(=O)(=O)c2ccc(C[N@H+](C)Cc3ccc(C#N)cc3)cc2)cc1 ZINC000042123129 821269671 /nfs/dbraw/zinc/26/96/71/821269671.db2.gz PKFJVZPHIATNTP-UHFFFAOYSA-N 1 2 390.508 4.332 20 30 GIEDLO Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+](C)Cc3ccc(C#N)cc3)cc2)cc1 ZINC000042123129 821269679 /nfs/dbraw/zinc/26/96/79/821269679.db2.gz PKFJVZPHIATNTP-UHFFFAOYSA-N 1 2 390.508 4.332 20 30 GIEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(Br)cc1 ZINC000181112395 821639871 /nfs/dbraw/zinc/63/98/71/821639871.db2.gz UWVJBVBWECAQIK-LBPRGKRZSA-N 1 2 383.249 4.222 20 30 GIEDLO COC[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccc(F)c(F)c1 ZINC000181231424 821709457 /nfs/dbraw/zinc/70/94/57/821709457.db2.gz AZSGMZKNHGNSRK-KRWDZBQOSA-N 1 2 381.220 4.076 20 30 GIEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCc3c(ncn3CCc3ccccc3)C2)cc1 ZINC000182144602 822115620 /nfs/dbraw/zinc/11/56/20/822115620.db2.gz WOLWEKJUZDYMQC-UHFFFAOYSA-N 1 2 399.542 4.034 20 30 GIEDLO CN(CCC#N)c1ccc(C[N@H+]2CCc3c(ncn3CCc3ccccc3)C2)cc1 ZINC000182144602 822115626 /nfs/dbraw/zinc/11/56/26/822115626.db2.gz WOLWEKJUZDYMQC-UHFFFAOYSA-N 1 2 399.542 4.034 20 30 GIEDLO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ncc(-c2ccccc2)o1 ZINC000182728012 822358453 /nfs/dbraw/zinc/35/84/53/822358453.db2.gz PFNWBVALTIGTGZ-OXJNMPFZSA-N 1 2 386.455 4.059 20 30 GIEDLO COc1ccc(-c2nc(C[N@H+](C)Cc3ccc(C#N)cc3)cs2)c(OC)c1 ZINC000046530495 822482277 /nfs/dbraw/zinc/48/22/77/822482277.db2.gz KRCAUMUNHITZKH-UHFFFAOYSA-N 1 2 379.485 4.331 20 30 GIEDLO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccc(C#N)cc3)cs2)c(OC)c1 ZINC000046530495 822482280 /nfs/dbraw/zinc/48/22/80/822482280.db2.gz KRCAUMUNHITZKH-UHFFFAOYSA-N 1 2 379.485 4.331 20 30 GIEDLO C=C(C)COc1cc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)ccc1OC ZINC000179631162 822516249 /nfs/dbraw/zinc/51/62/49/822516249.db2.gz MLJKKSIVBYIEJV-UHFFFAOYSA-N 1 2 382.504 4.337 20 30 GIEDLO C=C(C)COc1cc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)ccc1OC ZINC000179631162 822516251 /nfs/dbraw/zinc/51/62/51/822516251.db2.gz MLJKKSIVBYIEJV-UHFFFAOYSA-N 1 2 382.504 4.337 20 30 GIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184105617 822578851 /nfs/dbraw/zinc/57/88/51/822578851.db2.gz HCHXPSZLFUMPAH-KRWDZBQOSA-N 1 2 395.532 4.220 20 30 GIEDLO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nc(C(C)(C)C)cs1 ZINC000184485801 822644092 /nfs/dbraw/zinc/64/40/92/822644092.db2.gz GOVQFAMOOJYIML-LLVKDONJSA-N 1 2 376.913 4.255 20 30 GIEDLO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)c(C#N)c1C ZINC000184524860 822650887 /nfs/dbraw/zinc/65/08/87/822650887.db2.gz ZULMJUNEZLAITK-ZDUSSCGKSA-N 1 2 380.473 4.181 20 30 GIEDLO N#Cc1ccc(C[N@@H+](CC(=O)NCc2cccs2)Cc2cccc(F)c2)cc1 ZINC000049981438 822713049 /nfs/dbraw/zinc/71/30/49/822713049.db2.gz YRCOMBOPTCYXRS-UHFFFAOYSA-N 1 2 393.487 4.077 20 30 GIEDLO N#Cc1ccc(C[N@H+](CC(=O)NCc2cccs2)Cc2cccc(F)c2)cc1 ZINC000049981438 822713053 /nfs/dbraw/zinc/71/30/53/822713053.db2.gz YRCOMBOPTCYXRS-UHFFFAOYSA-N 1 2 393.487 4.077 20 30 GIEDLO CC1CC[NH+](Cc2csc(NC(=O)CN3CCc4ccccc4C3)n2)CC1 ZINC000051114096 822746667 /nfs/dbraw/zinc/74/66/67/822746667.db2.gz YFPSNAXWIHLYLS-UHFFFAOYSA-N 1 2 384.549 4.021 20 30 GIEDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(Cl)c1 ZINC000052801347 822810880 /nfs/dbraw/zinc/81/08/80/822810880.db2.gz FXTFTNURASBRCF-QGZVFWFLSA-N 1 2 396.922 4.059 20 30 GIEDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)c(Cl)c1 ZINC000052801347 822810883 /nfs/dbraw/zinc/81/08/83/822810883.db2.gz FXTFTNURASBRCF-QGZVFWFLSA-N 1 2 396.922 4.059 20 30 GIEDLO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1nc(-c2cccc(F)c2)no1 ZINC000174665214 822820674 /nfs/dbraw/zinc/82/06/74/822820674.db2.gz ITAURJFNNIBVNV-HNNXBMFYSA-N 1 2 380.423 4.409 20 30 GIEDLO N#Cc1cc(Cl)ccc1C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000186497475 822904893 /nfs/dbraw/zinc/90/48/93/822904893.db2.gz WRFDZXVDCMENCP-UHFFFAOYSA-N 1 2 379.891 4.268 20 30 GIEDLO N#Cc1cc(Cl)ccc1C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000186497475 822904894 /nfs/dbraw/zinc/90/48/94/822904894.db2.gz WRFDZXVDCMENCP-UHFFFAOYSA-N 1 2 379.891 4.268 20 30 GIEDLO C[C@H](c1nnc(S[C@H](C#N)c2ccccc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000569709366 822957535 /nfs/dbraw/zinc/95/75/35/822957535.db2.gz CLDXWTCALIUMBS-RDTXWAMCSA-N 1 2 381.480 4.386 20 30 GIEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412012785 823622623 /nfs/dbraw/zinc/62/26/23/823622623.db2.gz YOYQHUJWXYGKGZ-OAQYLSRUSA-N 1 2 379.460 4.240 20 30 GIEDLO N#Cc1ccc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cc1F ZINC000190986839 823635022 /nfs/dbraw/zinc/63/50/22/823635022.db2.gz FRUOBPHFYKSKBY-UHFFFAOYSA-N 1 2 393.491 4.166 20 30 GIEDLO Cc1oc(NC(=O)C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)c(C#N)c1C ZINC000063492234 823675877 /nfs/dbraw/zinc/67/58/77/823675877.db2.gz FLWLHBMPIDGJEI-JOCHJYFZSA-N 1 2 385.467 4.354 20 30 GIEDLO Cc1oc(NC(=O)C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)c(C#N)c1C ZINC000063492234 823675880 /nfs/dbraw/zinc/67/58/80/823675880.db2.gz FLWLHBMPIDGJEI-JOCHJYFZSA-N 1 2 385.467 4.354 20 30 GIEDLO C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000191474966 823688980 /nfs/dbraw/zinc/68/89/80/823688980.db2.gz SHYVCXWWHJEYGE-FQEVSTJZSA-N 1 2 385.552 4.257 20 30 GIEDLO CC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H](C)CS(=O)(=O)CC ZINC000191493601 823691071 /nfs/dbraw/zinc/69/10/71/823691071.db2.gz BFHGSOBIHQNZSV-HXUWFJFHSA-N 1 2 398.572 4.031 20 30 GIEDLO CC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H](C)CS(=O)(=O)CC ZINC000191493601 823691073 /nfs/dbraw/zinc/69/10/73/823691073.db2.gz BFHGSOBIHQNZSV-HXUWFJFHSA-N 1 2 398.572 4.031 20 30 GIEDLO C[C@H](CCC#N)Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000412978898 823696388 /nfs/dbraw/zinc/69/63/88/823696388.db2.gz OTAWEQYVONSTTI-CQSZACIVSA-N 1 2 375.929 4.301 20 30 GIEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000055873683 823058065 /nfs/dbraw/zinc/05/80/65/823058065.db2.gz ZTDAWBQNYDXEGQ-SFTDATJTSA-N 1 2 387.886 4.213 20 30 GIEDLO N#CCCn1cc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)c(-c2ccccc2)n1 ZINC000121373360 823172713 /nfs/dbraw/zinc/17/27/13/823172713.db2.gz JKZNZOPMOUKQSS-UHFFFAOYSA-N 1 2 386.434 4.401 20 30 GIEDLO Cc1cccc2nc(C3CC[NH+](Cc4c(C#N)cccc4[N+](=O)[O-])CC3)oc21 ZINC000459415824 823188096 /nfs/dbraw/zinc/18/80/96/823188096.db2.gz AFMONJTZIQPKMV-UHFFFAOYSA-N 1 2 376.416 4.296 20 30 GIEDLO CCOC(=O)c1oc2ccc(Br)cc2c1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459444127 823193286 /nfs/dbraw/zinc/19/32/86/823193286.db2.gz ADCCKBUWMUGDNR-IAQYHMDHSA-N 1 2 391.265 4.154 20 30 GIEDLO C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000176395663 823198638 /nfs/dbraw/zinc/19/86/38/823198638.db2.gz QTOYDCOYUUFPDA-KRWDZBQOSA-N 1 2 390.512 4.113 20 30 GIEDLO N#Cc1ccc(C2(C(=O)Nc3ccc(-c4[nH+]cc5n4CCCC5)cc3)CC2)cc1 ZINC000188221183 823205664 /nfs/dbraw/zinc/20/56/64/823205664.db2.gz PNRJJQBWODVCSF-UHFFFAOYSA-N 1 2 382.467 4.428 20 30 GIEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000121999232 823291010 /nfs/dbraw/zinc/29/10/10/823291010.db2.gz SGGFOZYERBYBJD-LBPRGKRZSA-N 1 2 376.913 4.171 20 30 GIEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000121999232 823291012 /nfs/dbraw/zinc/29/10/12/823291012.db2.gz SGGFOZYERBYBJD-LBPRGKRZSA-N 1 2 376.913 4.171 20 30 GIEDLO CCc1sc(-c2nnc(C[N@H+](C)CCOCc3ccc(C#N)cc3)o2)cc1C ZINC000572158675 823292104 /nfs/dbraw/zinc/29/21/04/823292104.db2.gz DUWIJFRKNXUCQQ-UHFFFAOYSA-N 1 2 396.516 4.189 20 30 GIEDLO CCc1sc(-c2nnc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)o2)cc1C ZINC000572158675 823292105 /nfs/dbraw/zinc/29/21/05/823292105.db2.gz DUWIJFRKNXUCQQ-UHFFFAOYSA-N 1 2 396.516 4.189 20 30 GIEDLO CCOc1ccc(CCC2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000011053510 818048231 /nfs/dbraw/zinc/04/82/31/818048231.db2.gz WSTZTQZRMDGOBO-UHFFFAOYSA-N 1 2 397.544 4.302 20 30 GIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCc3ccccc3C2)c1C#N ZINC000012485885 818164634 /nfs/dbraw/zinc/16/46/34/818164634.db2.gz LYTIJMRHCXHNNR-UHFFFAOYSA-N 1 2 376.504 4.089 20 30 GIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCc3ccccc3C2)c1C#N ZINC000012485885 818164635 /nfs/dbraw/zinc/16/46/35/818164635.db2.gz LYTIJMRHCXHNNR-UHFFFAOYSA-N 1 2 376.504 4.089 20 30 GIEDLO COc1ccccc1C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000012809961 818183253 /nfs/dbraw/zinc/18/32/53/818183253.db2.gz HIICJLVMQBHPRP-UHFFFAOYSA-N 1 2 394.519 4.171 20 30 GIEDLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000012809961 818183258 /nfs/dbraw/zinc/18/32/58/818183258.db2.gz HIICJLVMQBHPRP-UHFFFAOYSA-N 1 2 394.519 4.171 20 30 GIEDLO CC(C)(C)c1ccc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017843550 818531060 /nfs/dbraw/zinc/53/10/60/818531060.db2.gz YNZLTJXFYYQLJT-UHFFFAOYSA-N 1 2 389.543 4.133 20 30 GIEDLO C=C(C)Cn1c(C2CCC2)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000460376426 823369092 /nfs/dbraw/zinc/36/90/92/823369092.db2.gz TXJLYXXTHATKHF-UHFFFAOYSA-N 1 2 394.567 4.260 20 30 GIEDLO C[N@H+](Cc1nc(-c2cccc(Br)c2)no1)Cc1cccc(C#N)c1 ZINC000026327484 820084933 /nfs/dbraw/zinc/08/49/33/820084933.db2.gz VBBFHCHPSKWBOG-UHFFFAOYSA-N 1 2 383.249 4.003 20 30 GIEDLO C[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)Cc1cccc(C#N)c1 ZINC000026327484 820084936 /nfs/dbraw/zinc/08/49/36/820084936.db2.gz VBBFHCHPSKWBOG-UHFFFAOYSA-N 1 2 383.249 4.003 20 30 GIEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573196536 823464304 /nfs/dbraw/zinc/46/43/04/823464304.db2.gz KNTWBEAGRRGGRZ-WAOWUJCRSA-N 1 2 389.902 4.205 20 30 GIEDLO CC[N@H+]1CC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573196536 823464305 /nfs/dbraw/zinc/46/43/05/823464305.db2.gz KNTWBEAGRRGGRZ-WAOWUJCRSA-N 1 2 389.902 4.205 20 30 GIEDLO C=CC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1ccccc1 ZINC000027776394 820285198 /nfs/dbraw/zinc/28/51/98/820285198.db2.gz IJBGDKCDVMZDOE-FQEVSTJZSA-N 1 2 389.455 4.239 20 30 GIEDLO C=CC[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1ccccc1 ZINC000027776394 820285205 /nfs/dbraw/zinc/28/52/05/820285205.db2.gz IJBGDKCDVMZDOE-FQEVSTJZSA-N 1 2 389.455 4.239 20 30 GIEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000177561917 823491492 /nfs/dbraw/zinc/49/14/92/823491492.db2.gz NVPSDNRLUXHQNJ-UHFFFAOYSA-N 1 2 375.444 4.281 20 30 GIEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000177561917 823491496 /nfs/dbraw/zinc/49/14/96/823491496.db2.gz NVPSDNRLUXHQNJ-UHFFFAOYSA-N 1 2 375.444 4.281 20 30 GIEDLO N#Cc1ccc(CCC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000031892446 820870956 /nfs/dbraw/zinc/87/09/56/820870956.db2.gz OCPVGCXTPPWOMC-HXUWFJFHSA-N 1 2 399.897 4.237 20 30 GIEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H](C)O1 ZINC000183113007 822426031 /nfs/dbraw/zinc/42/60/31/822426031.db2.gz CWUZUMIDXKBGNL-QZTJIDSGSA-N 1 2 389.499 4.103 20 30 GIEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000183112969 822426093 /nfs/dbraw/zinc/42/60/93/822426093.db2.gz CWUZUMIDXKBGNL-HDICACEKSA-N 1 2 389.499 4.103 20 30 GIEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000183112969 822426094 /nfs/dbraw/zinc/42/60/94/822426094.db2.gz CWUZUMIDXKBGNL-HDICACEKSA-N 1 2 389.499 4.103 20 30 GIEDLO C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000179356763 822470348 /nfs/dbraw/zinc/47/03/48/822470348.db2.gz KEZHFJRZHQPSHE-WMLDXEAASA-N 1 2 394.425 4.054 20 30 GIEDLO C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)[N@H+]1CCc2ccccc2C1 ZINC000179356763 822470351 /nfs/dbraw/zinc/47/03/51/822470351.db2.gz KEZHFJRZHQPSHE-WMLDXEAASA-N 1 2 394.425 4.054 20 30 GIEDLO C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000179356773 822470641 /nfs/dbraw/zinc/47/06/41/822470641.db2.gz KEZHFJRZHQPSHE-RHSMWYFYSA-N 1 2 394.425 4.054 20 30 GIEDLO C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)[N@H+]1CCc2ccccc2C1 ZINC000179356773 822470644 /nfs/dbraw/zinc/47/06/44/822470644.db2.gz KEZHFJRZHQPSHE-RHSMWYFYSA-N 1 2 394.425 4.054 20 30 GIEDLO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC000183580349 822497368 /nfs/dbraw/zinc/49/73/68/822497368.db2.gz KKDMXHBJLAAPCV-UHFFFAOYSA-N 1 2 381.423 4.385 20 30 GIEDLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)n1 ZINC000184221648 822598346 /nfs/dbraw/zinc/59/83/46/822598346.db2.gz FQCQLKIODATNDR-OAHLLOKOSA-N 1 2 393.516 4.020 20 30 GIEDLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C2CC2)o1 ZINC000048055585 822627833 /nfs/dbraw/zinc/62/78/33/822627833.db2.gz RWPKLMCYOLRDLU-UWJYYQICSA-N 1 2 377.488 4.314 20 30 GIEDLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C2CC2)o1 ZINC000048055585 822627837 /nfs/dbraw/zinc/62/78/37/822627837.db2.gz RWPKLMCYOLRDLU-UWJYYQICSA-N 1 2 377.488 4.314 20 30 GIEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180488792 822690158 /nfs/dbraw/zinc/69/01/58/822690158.db2.gz GMQHODYHDAPUGD-ZDUSSCGKSA-N 1 2 393.384 4.010 20 30 GIEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180488792 822690161 /nfs/dbraw/zinc/69/01/61/822690161.db2.gz GMQHODYHDAPUGD-ZDUSSCGKSA-N 1 2 393.384 4.010 20 30 GIEDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000184890767 822708219 /nfs/dbraw/zinc/70/82/19/822708219.db2.gz CEHVDBXATWXVMI-MSOLQXFVSA-N 1 2 388.471 4.328 20 30 GIEDLO CC1CC[NH+](Cc2csc(NC(=O)CN(C)Cc3cccc(F)c3)n2)CC1 ZINC000051378507 822758013 /nfs/dbraw/zinc/75/80/13/822758013.db2.gz VSZDVPYDRCHWOF-UHFFFAOYSA-N 1 2 390.528 4.234 20 30 GIEDLO CCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](C)c1ccccc1Br ZINC000052134835 822791154 /nfs/dbraw/zinc/79/11/54/822791154.db2.gz ZTQUECZUZGLSGC-LIRRHRJNSA-N 1 2 392.341 4.031 20 30 GIEDLO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](C)c1ccccc1Br ZINC000052134835 822791157 /nfs/dbraw/zinc/79/11/57/822791157.db2.gz ZTQUECZUZGLSGC-LIRRHRJNSA-N 1 2 392.341 4.031 20 30 GIEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(Cl)c1 ZINC000052801348 822810842 /nfs/dbraw/zinc/81/08/42/822810842.db2.gz FXTFTNURASBRCF-KRWDZBQOSA-N 1 2 396.922 4.059 20 30 GIEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)c(Cl)c1 ZINC000052801348 822810844 /nfs/dbraw/zinc/81/08/44/822810844.db2.gz FXTFTNURASBRCF-KRWDZBQOSA-N 1 2 396.922 4.059 20 30 GIEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000053109154 822821987 /nfs/dbraw/zinc/82/19/87/822821987.db2.gz DSRJFMSICUHWPR-UHFFFAOYSA-N 1 2 379.407 4.242 20 30 GIEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000053109154 822821991 /nfs/dbraw/zinc/82/19/91/822821991.db2.gz DSRJFMSICUHWPR-UHFFFAOYSA-N 1 2 379.407 4.242 20 30 GIEDLO CCOc1c(Br)cc(Br)cc1C[NH2+][C@@H](CC)CC#N ZINC000054183633 822866552 /nfs/dbraw/zinc/86/65/52/822866552.db2.gz LIYMAMYYMXSQQG-LBPRGKRZSA-N 1 2 390.119 4.392 20 30 GIEDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)s1 ZINC000175214661 822906446 /nfs/dbraw/zinc/90/64/46/822906446.db2.gz NLCBIKFNWYZFFP-KRWDZBQOSA-N 1 2 384.549 4.316 20 30 GIEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)s1 ZINC000175214661 822906450 /nfs/dbraw/zinc/90/64/50/822906450.db2.gz NLCBIKFNWYZFFP-KRWDZBQOSA-N 1 2 384.549 4.316 20 30 GIEDLO Cc1ccnc([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)c1 ZINC000569739736 822961736 /nfs/dbraw/zinc/96/17/36/822961736.db2.gz POEQUBBYDKGYIU-ROUUACIJSA-N 1 2 394.544 4.070 20 30 GIEDLO Cc1ccnc([C@H]2CC[N@H+](CC(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)c1 ZINC000569739736 822961738 /nfs/dbraw/zinc/96/17/38/822961738.db2.gz POEQUBBYDKGYIU-ROUUACIJSA-N 1 2 394.544 4.070 20 30 GIEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](CC)CCc2ccccc2)c1=S ZINC000124042000 823562450 /nfs/dbraw/zinc/56/24/50/823562450.db2.gz RSHMSRYLSGEGHY-UHFFFAOYSA-N 1 2 379.533 4.184 20 30 GIEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](CC)CCc2ccccc2)c1=S ZINC000124042000 823562452 /nfs/dbraw/zinc/56/24/52/823562452.db2.gz RSHMSRYLSGEGHY-UHFFFAOYSA-N 1 2 379.533 4.184 20 30 GIEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cc(Br)cs1 ZINC000124157834 823572830 /nfs/dbraw/zinc/57/28/30/823572830.db2.gz KVIBMGOOZUHNKH-UHFFFAOYSA-N 1 2 398.713 4.106 20 30 GIEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cc(Br)cs1 ZINC000124157834 823572833 /nfs/dbraw/zinc/57/28/33/823572833.db2.gz KVIBMGOOZUHNKH-UHFFFAOYSA-N 1 2 398.713 4.106 20 30 GIEDLO C[C@H]1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000124907720 823635838 /nfs/dbraw/zinc/63/58/38/823635838.db2.gz NQGIIIYXIQPANX-JTSKRJEESA-N 1 2 385.471 4.222 20 30 GIEDLO C[C@@H]1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000124907898 823635905 /nfs/dbraw/zinc/63/59/05/823635905.db2.gz NQGIIIYXIQPANX-VGOFRKELSA-N 1 2 385.471 4.222 20 30 GIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000125010549 823644892 /nfs/dbraw/zinc/64/48/92/823644892.db2.gz XIADQUDACDSWBG-IRXDYDNUSA-N 1 2 397.548 4.158 20 30 GIEDLO C=CC[N@@H+](CCOC)Cc1csc(-c2cc(Br)ccc2OC)n1 ZINC000191075045 823645446 /nfs/dbraw/zinc/64/54/46/823645446.db2.gz RLONJZBDYYLSOC-UHFFFAOYSA-N 1 2 397.338 4.216 20 30 GIEDLO C=CC[N@H+](CCOC)Cc1csc(-c2cc(Br)ccc2OC)n1 ZINC000191075045 823645449 /nfs/dbraw/zinc/64/54/49/823645449.db2.gz RLONJZBDYYLSOC-UHFFFAOYSA-N 1 2 397.338 4.216 20 30 GIEDLO CC[C@@H](C)Oc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000063164255 823653784 /nfs/dbraw/zinc/65/37/84/823653784.db2.gz HHKUHFIGKIDXIW-GOSISDBHSA-N 1 2 392.503 4.085 20 30 GIEDLO C=CC[N@@H+](CC(=O)N[C@H](CC)c1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC000063300249 823660843 /nfs/dbraw/zinc/66/08/43/823660843.db2.gz CDOGNJCVUCNVFX-OAQYLSRUSA-N 1 2 381.907 4.467 20 30 GIEDLO C=CC[N@H+](CC(=O)N[C@H](CC)c1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC000063300249 823660848 /nfs/dbraw/zinc/66/08/48/823660848.db2.gz CDOGNJCVUCNVFX-OAQYLSRUSA-N 1 2 381.907 4.467 20 30 GIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Br)c(C)c1)Cc1cccc(C#N)c1 ZINC000063300409 823661175 /nfs/dbraw/zinc/66/11/75/823661175.db2.gz LFDZQPMTXKAPBW-UHFFFAOYSA-N 1 2 398.304 4.256 20 30 GIEDLO C=CC[N@H+](CC(=O)Nc1ccc(Br)c(C)c1)Cc1cccc(C#N)c1 ZINC000063300409 823661176 /nfs/dbraw/zinc/66/11/76/823661176.db2.gz LFDZQPMTXKAPBW-UHFFFAOYSA-N 1 2 398.304 4.256 20 30 GIEDLO C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000191474951 823689008 /nfs/dbraw/zinc/68/90/08/823689008.db2.gz SHYVCXWWHJEYGE-HXUWFJFHSA-N 1 2 385.552 4.257 20 30 GIEDLO CC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H](C)CS(=O)(=O)CC ZINC000191493584 823690951 /nfs/dbraw/zinc/69/09/51/823690951.db2.gz BFHGSOBIHQNZSV-FQEVSTJZSA-N 1 2 398.572 4.031 20 30 GIEDLO CC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H](C)CS(=O)(=O)CC ZINC000191493584 823690954 /nfs/dbraw/zinc/69/09/54/823690954.db2.gz BFHGSOBIHQNZSV-FQEVSTJZSA-N 1 2 398.572 4.031 20 30 GIEDLO C[C@@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000461903635 823746946 /nfs/dbraw/zinc/74/69/46/823746946.db2.gz VPTXFNFSRCUYAY-QRWLVFNGSA-N 1 2 399.897 4.408 20 30 GIEDLO N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N)[nH+]c3)cc2Cl)cc1 ZINC000570585067 823057423 /nfs/dbraw/zinc/05/74/23/823057423.db2.gz HVGSYROPJGRQIW-UHFFFAOYSA-N 1 2 393.834 4.133 20 30 GIEDLO N#CCC[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccccc1 ZINC000120757977 823058282 /nfs/dbraw/zinc/05/82/82/823058282.db2.gz LXXMDLAGKMRKBH-LJQANCHMSA-N 1 2 389.459 4.129 20 30 GIEDLO C=CCOc1c(Br)cc(C[N@H+]2CC=C(COC)CC2)cc1OCC ZINC000187621553 823099408 /nfs/dbraw/zinc/09/94/08/823099408.db2.gz KNZUTMIYARJBIR-UHFFFAOYSA-N 1 2 396.325 4.191 20 30 GIEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC=C(COC)CC2)cc1OCC ZINC000187621553 823099415 /nfs/dbraw/zinc/09/94/15/823099415.db2.gz KNZUTMIYARJBIR-UHFFFAOYSA-N 1 2 396.325 4.191 20 30 GIEDLO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4c(C#N)cccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000459394289 823182001 /nfs/dbraw/zinc/18/20/01/823182001.db2.gz SDQUBRGAZKMWPQ-INIZCTEOSA-N 1 2 375.432 4.031 20 30 GIEDLO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4c(C#N)cccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000459394289 823182004 /nfs/dbraw/zinc/18/20/04/823182004.db2.gz SDQUBRGAZKMWPQ-INIZCTEOSA-N 1 2 375.432 4.031 20 30 GIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)Cc2cccc(F)c2)c1C#N ZINC000012810579 818183319 /nfs/dbraw/zinc/18/33/19/818183319.db2.gz LOUNVQHLYUBMJA-UHFFFAOYSA-N 1 2 382.483 4.301 20 30 GIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)Cc2cccc(F)c2)c1C#N ZINC000012810579 818183323 /nfs/dbraw/zinc/18/33/23/818183323.db2.gz LOUNVQHLYUBMJA-UHFFFAOYSA-N 1 2 382.483 4.301 20 30 GIEDLO Cc1cccc(OCC[N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)c1 ZINC000057971386 823351539 /nfs/dbraw/zinc/35/15/39/823351539.db2.gz NVRLXSFRIQJJHB-UHFFFAOYSA-N 1 2 375.472 4.057 20 30 GIEDLO Cc1cccc(OCC[N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)c1 ZINC000057971386 823351547 /nfs/dbraw/zinc/35/15/47/823351547.db2.gz NVRLXSFRIQJJHB-UHFFFAOYSA-N 1 2 375.472 4.057 20 30 GIEDLO CC1CC[NH+](Cc2csc(NC(=O)c3cccc(SCC#N)c3)n2)CC1 ZINC000177018591 823350429 /nfs/dbraw/zinc/35/04/29/823350429.db2.gz ZXMXTFYVAMZNML-UHFFFAOYSA-N 1 2 386.546 4.243 20 30 GIEDLO N#Cc1ccc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)cc1 ZINC000022835697 818865392 /nfs/dbraw/zinc/86/53/92/818865392.db2.gz NAIIWENMMLJWRE-UHFFFAOYSA-N 1 2 389.528 4.086 20 30 GIEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(C#N)c1C ZINC000177252572 823409869 /nfs/dbraw/zinc/40/98/69/823409869.db2.gz RGSYFAQUQPJSJW-HNNXBMFYSA-N 1 2 394.500 4.196 20 30 GIEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(C#N)c1C ZINC000177252572 823409872 /nfs/dbraw/zinc/40/98/72/823409872.db2.gz RGSYFAQUQPJSJW-HNNXBMFYSA-N 1 2 394.500 4.196 20 30 GIEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189537441 823439963 /nfs/dbraw/zinc/43/99/63/823439963.db2.gz QAJPHEXMSRXBDR-PKOBYXMFSA-N 1 2 386.858 4.226 20 30 GIEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189537441 823439966 /nfs/dbraw/zinc/43/99/66/823439966.db2.gz QAJPHEXMSRXBDR-PKOBYXMFSA-N 1 2 386.858 4.226 20 30 GIEDLO NC(=[NH+]OCc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000025821816 820029126 /nfs/dbraw/zinc/02/91/26/820029126.db2.gz ATICVJAOECRTDA-UHFFFAOYSA-N 1 2 379.847 4.429 20 30 GIEDLO C[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cc1cccc(C#N)c1 ZINC000026323161 820083032 /nfs/dbraw/zinc/08/30/32/820083032.db2.gz AILQANGKUDPGKH-UHFFFAOYSA-N 1 2 381.785 4.301 20 30 GIEDLO C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cc1cccc(C#N)c1 ZINC000026323161 820083041 /nfs/dbraw/zinc/08/30/41/820083041.db2.gz AILQANGKUDPGKH-UHFFFAOYSA-N 1 2 381.785 4.301 20 30 GIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccc(Cl)s1 ZINC000026812659 820148335 /nfs/dbraw/zinc/14/83/35/820148335.db2.gz AIPJBEDWTHGQSD-JTQLQIEISA-N 1 2 379.938 4.282 20 30 GIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000026812659 820148338 /nfs/dbraw/zinc/14/83/38/820148338.db2.gz AIPJBEDWTHGQSD-JTQLQIEISA-N 1 2 379.938 4.282 20 30 GIEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573196535 823464297 /nfs/dbraw/zinc/46/42/97/823464297.db2.gz KNTWBEAGRRGGRZ-UEXGIBASSA-N 1 2 389.902 4.205 20 30 GIEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573196535 823464299 /nfs/dbraw/zinc/46/42/99/823464299.db2.gz KNTWBEAGRRGGRZ-UEXGIBASSA-N 1 2 389.902 4.205 20 30 GIEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c(C#N)c1C ZINC000029829286 820527357 /nfs/dbraw/zinc/52/73/57/820527357.db2.gz UBHJWCYJKGMSDQ-GOEBONIOSA-N 1 2 392.459 4.116 20 30 GIEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c(C#N)c1C ZINC000029829286 820527365 /nfs/dbraw/zinc/52/73/65/820527365.db2.gz UBHJWCYJKGMSDQ-GOEBONIOSA-N 1 2 392.459 4.116 20 30 GIEDLO CO[C@@H](C)c1nc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)cs1 ZINC000177568280 823493169 /nfs/dbraw/zinc/49/31/69/823493169.db2.gz POVOUGRPTVGPQA-HNNXBMFYSA-N 1 2 397.500 4.267 20 30 GIEDLO C=C(Br)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000060422749 823525517 /nfs/dbraw/zinc/52/55/17/823525517.db2.gz LISPTMFKLRXUQB-LLVKDONJSA-N 1 2 385.306 4.030 20 30 GIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000180760978 821440031 /nfs/dbraw/zinc/44/00/31/821440031.db2.gz DFDJXYOMOIMIRU-INIZCTEOSA-N 1 2 380.517 4.079 20 30 GIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000180760978 821440036 /nfs/dbraw/zinc/44/00/36/821440036.db2.gz DFDJXYOMOIMIRU-INIZCTEOSA-N 1 2 380.517 4.079 20 30 GIEDLO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044439011 821587374 /nfs/dbraw/zinc/58/73/74/821587374.db2.gz WFIFWYPMCYHOLC-ZETCQYMHSA-N 1 2 394.290 4.119 20 30 GIEDLO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044439011 821587379 /nfs/dbraw/zinc/58/73/79/821587379.db2.gz WFIFWYPMCYHOLC-ZETCQYMHSA-N 1 2 394.290 4.119 20 30 GIEDLO N#Cc1ccccc1Oc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000182327582 822203435 /nfs/dbraw/zinc/20/34/35/822203435.db2.gz MGLUMJSICGGAFG-UHFFFAOYSA-N 1 2 398.466 4.276 20 30 GIEDLO N#Cc1ccc(C[NH+]2CCN(Cc3coc(-c4cccc(Cl)c4)n3)CC2)cc1 ZINC000045735660 822409525 /nfs/dbraw/zinc/40/95/25/822409525.db2.gz UDCQZBGZPUVYRH-UHFFFAOYSA-N 1 2 392.890 4.184 20 30 GIEDLO N#CCC[C@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000178828106 822414486 /nfs/dbraw/zinc/41/44/86/822414486.db2.gz RSZXOTWKRJJMJB-HDFUYHJRSA-N 1 2 388.515 4.072 20 30 GIEDLO N#CCC[C@@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000178828117 822414581 /nfs/dbraw/zinc/41/45/81/822414581.db2.gz RSZXOTWKRJJMJB-OXHGWOFKSA-N 1 2 388.515 4.072 20 30 GIEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1OCCCC#N ZINC000179429741 822481486 /nfs/dbraw/zinc/48/14/86/822481486.db2.gz SWZXXSWYLHXOBW-JOCHJYFZSA-N 1 2 384.451 4.090 20 30 GIEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1OCCCC#N ZINC000179429741 822481488 /nfs/dbraw/zinc/48/14/88/822481488.db2.gz SWZXXSWYLHXOBW-JOCHJYFZSA-N 1 2 384.451 4.090 20 30 GIEDLO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046528717 822481713 /nfs/dbraw/zinc/48/17/13/822481713.db2.gz TXUBLBPRORHVPZ-QHCPKHFHSA-N 1 2 385.467 4.379 20 30 GIEDLO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046528717 822481715 /nfs/dbraw/zinc/48/17/15/822481715.db2.gz TXUBLBPRORHVPZ-QHCPKHFHSA-N 1 2 385.467 4.379 20 30 GIEDLO COc1ccc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1OCCCC#N ZINC000184246099 822602360 /nfs/dbraw/zinc/60/23/60/822602360.db2.gz XAIYKUPNXRDEIY-QFIPXVFZSA-N 1 2 394.515 4.211 20 30 GIEDLO COc1ccc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1OCCCC#N ZINC000184246099 822602364 /nfs/dbraw/zinc/60/23/64/822602364.db2.gz XAIYKUPNXRDEIY-QFIPXVFZSA-N 1 2 394.515 4.211 20 30 GIEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000455522587 822670288 /nfs/dbraw/zinc/67/02/88/822670288.db2.gz KNRPPAAKAAPUIB-UHFFFAOYSA-N 1 2 390.531 4.219 20 30 GIEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000180523158 822695861 /nfs/dbraw/zinc/69/58/61/822695861.db2.gz VQESREOZOJFTMM-KBXCAEBGSA-N 1 2 397.548 4.196 20 30 GIEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000180523158 822695863 /nfs/dbraw/zinc/69/58/63/822695863.db2.gz VQESREOZOJFTMM-KBXCAEBGSA-N 1 2 397.548 4.196 20 30 GIEDLO C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000184859876 822701924 /nfs/dbraw/zinc/70/19/24/822701924.db2.gz WYSAGASTQZVJCS-POTGORPSSA-N 1 2 394.519 4.312 20 30 GIEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000185226662 822751822 /nfs/dbraw/zinc/75/18/22/822751822.db2.gz GEBFMSWQLSQBNF-OAHLLOKOSA-N 1 2 385.537 4.087 20 30 GIEDLO C=C(C)COc1cc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)ccc1OC ZINC000185870459 822828714 /nfs/dbraw/zinc/82/87/14/822828714.db2.gz DBOJFEMGZIHRKQ-UHFFFAOYSA-N 1 2 375.472 4.397 20 30 GIEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)s1 ZINC000175214681 822906422 /nfs/dbraw/zinc/90/64/22/822906422.db2.gz NLCBIKFNWYZFFP-QGZVFWFLSA-N 1 2 384.549 4.316 20 30 GIEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)s1 ZINC000175214681 822906425 /nfs/dbraw/zinc/90/64/25/822906425.db2.gz NLCBIKFNWYZFFP-QGZVFWFLSA-N 1 2 384.549 4.316 20 30 GIEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000411734218 823601002 /nfs/dbraw/zinc/60/10/02/823601002.db2.gz SOWLMKNWNZCQAA-LJQANCHMSA-N 1 2 393.878 4.254 20 30 GIEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000411734218 823601003 /nfs/dbraw/zinc/60/10/03/823601003.db2.gz SOWLMKNWNZCQAA-LJQANCHMSA-N 1 2 393.878 4.254 20 30 GIEDLO C=CCn1c(-c2cccc(Cl)c2)nn(C[N@H+](C)CC2CCOCC2)c1=S ZINC000124745605 823622842 /nfs/dbraw/zinc/62/28/42/823622842.db2.gz SAZCRZNUIGWNGS-UHFFFAOYSA-N 1 2 392.956 4.236 20 30 GIEDLO C=CCn1c(-c2cccc(Cl)c2)nn(C[N@@H+](C)CC2CCOCC2)c1=S ZINC000124745605 823622844 /nfs/dbraw/zinc/62/28/44/823622844.db2.gz SAZCRZNUIGWNGS-UHFFFAOYSA-N 1 2 392.956 4.236 20 30 GIEDLO C[C@@H](c1nnc(SCC#Cc2ccccc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000191454942 823686952 /nfs/dbraw/zinc/68/69/52/823686952.db2.gz VBYHCYFESIVELG-INIZCTEOSA-N 1 2 380.492 4.173 20 30 GIEDLO N#CCCCC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000462243367 823892831 /nfs/dbraw/zinc/89/28/31/823892831.db2.gz BZQORVUKUXEADI-QFIPXVFZSA-N 1 2 381.907 4.267 20 30 GIEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000414104305 823910654 /nfs/dbraw/zinc/91/06/54/823910654.db2.gz YQDMJZZJHJWQBC-IBGZPJMESA-N 1 2 392.528 4.042 20 30 GIEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000414104305 823910662 /nfs/dbraw/zinc/91/06/62/823910662.db2.gz YQDMJZZJHJWQBC-IBGZPJMESA-N 1 2 392.528 4.042 20 30 GIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000575460021 823972504 /nfs/dbraw/zinc/97/25/04/823972504.db2.gz KQFUFSVLKUNXFB-LPHOPBHVSA-N 1 2 380.517 4.109 20 30 GIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000575460021 823972514 /nfs/dbraw/zinc/97/25/14/823972514.db2.gz KQFUFSVLKUNXFB-LPHOPBHVSA-N 1 2 380.517 4.109 20 30 GIEDLO C=CC[NH+]1CCN(C(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)CC1 ZINC001165034959 721873891 /nfs/dbraw/zinc/87/38/91/721873891.db2.gz RDKXYSZFXMRMNT-UHFFFAOYSA-N 1 2 388.849 4.127 20 30 GIEDLO N#Cc1ccc2ncc(C[N@@H+]3CCc4sccc4[C@@H]3c3cccs3)n2c1 ZINC000121132891 823123917 /nfs/dbraw/zinc/12/39/17/823123917.db2.gz IOYPLROQCJNWOR-HXUWFJFHSA-N 1 2 376.510 4.477 20 30 GIEDLO N#Cc1ccc2ncc(C[N@H+]3CCc4sccc4[C@@H]3c3cccs3)n2c1 ZINC000121132891 823123920 /nfs/dbraw/zinc/12/39/20/823123920.db2.gz IOYPLROQCJNWOR-HXUWFJFHSA-N 1 2 376.510 4.477 20 30 GIEDLO COc1cc(OC)cc(Oc2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2)c1 ZINC000571335310 823166879 /nfs/dbraw/zinc/16/68/79/823166879.db2.gz ZWWUDIHGAICCNP-UHFFFAOYSA-N 1 2 381.457 4.114 20 30 GIEDLO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4c(C#N)cccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000459394290 823182129 /nfs/dbraw/zinc/18/21/29/823182129.db2.gz SDQUBRGAZKMWPQ-MRXNPFEDSA-N 1 2 375.432 4.031 20 30 GIEDLO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4c(C#N)cccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000459394290 823182133 /nfs/dbraw/zinc/18/21/33/823182133.db2.gz SDQUBRGAZKMWPQ-MRXNPFEDSA-N 1 2 375.432 4.031 20 30 GIEDLO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000571730267 823227138 /nfs/dbraw/zinc/22/71/38/823227138.db2.gz ZBOIPXHGGLVSEX-UHFFFAOYSA-N 1 2 385.943 4.102 20 30 GIEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000121904418 823273885 /nfs/dbraw/zinc/27/38/85/823273885.db2.gz LSIQTYGNMVIMKS-KSFYIVLOSA-N 1 2 399.922 4.036 20 30 GIEDLO COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C#N)CC2)cc1Cl ZINC000057908098 823347311 /nfs/dbraw/zinc/34/73/11/823347311.db2.gz JTJVQFVHBFWKCG-HXUWFJFHSA-N 1 2 383.879 4.264 20 30 GIEDLO C=C(C)COc1cc(C[NH2+][C@H](c2nccn2C)c2ccccc2)ccc1OC ZINC000057961153 823350604 /nfs/dbraw/zinc/35/06/04/823350604.db2.gz NVMAHHOPPVJPKA-QFIPXVFZSA-N 1 2 377.488 4.263 20 30 GIEDLO C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000122795511 823413430 /nfs/dbraw/zinc/41/34/30/823413430.db2.gz ZLDQKMGKXBZNOC-WQTXXOFMSA-N 1 2 385.471 4.044 20 30 GIEDLO N#CCCCOc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000058812117 823456992 /nfs/dbraw/zinc/45/69/92/823456992.db2.gz WLYZUPPPJBNDFI-NRFANRHFSA-N 1 2 395.528 4.098 20 30 GIEDLO C=C(C)Cn1c(SCc2[nH+]cc(C)c(OC)c2C)nnc1-c1ccncc1 ZINC000123380704 823503544 /nfs/dbraw/zinc/50/35/44/823503544.db2.gz SYHKPZKMQBIADD-UHFFFAOYSA-N 1 2 381.505 4.229 20 30 GIEDLO N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000032313487 820913544 /nfs/dbraw/zinc/91/35/44/820913544.db2.gz YYSMIXSCSHPYAM-UHFFFAOYSA-N 1 2 392.462 4.400 20 30 GIEDLO N#Cc1ccc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c(Br)c1 ZINC000183195270 822439633 /nfs/dbraw/zinc/43/96/33/822439633.db2.gz LQQVSYSWIRJZDO-UHFFFAOYSA-N 1 2 381.155 4.133 20 30 GIEDLO CC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1OC(F)F ZINC000179715037 822533416 /nfs/dbraw/zinc/53/34/16/822533416.db2.gz LRUOJQOCUIZQMV-INIZCTEOSA-N 1 2 384.386 4.451 20 30 GIEDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)s1 ZINC000183951209 822552783 /nfs/dbraw/zinc/55/27/83/822552783.db2.gz PHFUPOFZIPUCLV-CYBMUJFWSA-N 1 2 388.562 4.167 20 30 GIEDLO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)c(C#N)c1C ZINC000184501853 822646505 /nfs/dbraw/zinc/64/65/05/822646505.db2.gz SFURBNVRJLKFHX-NSHDSACASA-N 1 2 376.551 4.280 20 30 GIEDLO O=C(CN1CCC[C@@H]1c1cccs1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000051654014 822771755 /nfs/dbraw/zinc/77/17/55/822771755.db2.gz AUUABBHCTKXOHI-OAHLLOKOSA-N 1 2 376.551 4.226 20 30 GIEDLO Cn1cc([C@H]([NH2+]Cc2ccc(C#N)cc2Br)c2ccc(F)cc2)cn1 ZINC000185415569 822781028 /nfs/dbraw/zinc/78/10/28/822781028.db2.gz KOKBLCPCCOMQFV-LJQANCHMSA-N 1 2 399.267 4.073 20 30 GIEDLO C=CCOc1ccc(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000174900280 822852708 /nfs/dbraw/zinc/85/27/08/822852708.db2.gz PZVZTGBODSIGNP-UHFFFAOYSA-N 1 2 379.504 4.025 20 30 GIEDLO Cc1ccnc([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)c1 ZINC000569739738 822961816 /nfs/dbraw/zinc/96/18/16/822961816.db2.gz POEQUBBYDKGYIU-ZWKOTPCHSA-N 1 2 394.544 4.070 20 30 GIEDLO Cc1ccnc([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)c1 ZINC000569739738 822961821 /nfs/dbraw/zinc/96/18/21/822961821.db2.gz POEQUBBYDKGYIU-ZWKOTPCHSA-N 1 2 394.544 4.070 20 30 GIEDLO C=CC[N@H+](CCc1ccccc1)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000175604398 823005300 /nfs/dbraw/zinc/00/53/00/823005300.db2.gz VISLEFAWGOKEJY-UHFFFAOYSA-N 1 2 391.540 4.304 20 30 GIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000175604398 823005304 /nfs/dbraw/zinc/00/53/04/823005304.db2.gz VISLEFAWGOKEJY-UHFFFAOYSA-N 1 2 391.540 4.304 20 30 GIEDLO C[C@H](c1ccc(OC(F)(F)F)cc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000064138222 823753359 /nfs/dbraw/zinc/75/33/59/823753359.db2.gz DYMXSMFLJQECNM-MRXNPFEDSA-N 1 2 389.421 4.336 20 30 GIEDLO Cc1nc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(Cl)cc1C#N ZINC000461933306 823764249 /nfs/dbraw/zinc/76/42/49/823764249.db2.gz DWFRGMUVKJRGSD-MSOLQXFVSA-N 1 2 391.302 4.052 20 30 GIEDLO Cc1nc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(Cl)cc1C#N ZINC000461933306 823764258 /nfs/dbraw/zinc/76/42/58/823764258.db2.gz DWFRGMUVKJRGSD-MSOLQXFVSA-N 1 2 391.302 4.052 20 30 GIEDLO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000170983347 824027141 /nfs/dbraw/zinc/02/71/41/824027141.db2.gz ANLCRAUDZBXVHX-INIZCTEOSA-N 1 2 383.517 4.160 20 30 GIEDLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000170983347 824027146 /nfs/dbraw/zinc/02/71/46/824027146.db2.gz ANLCRAUDZBXVHX-INIZCTEOSA-N 1 2 383.517 4.160 20 30 GIEDLO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccs1)C[C@H](C#N)CCC#N ZINC000120755323 823057898 /nfs/dbraw/zinc/05/78/98/823057898.db2.gz ACBMCGVMHHLRTM-KRWDZBQOSA-N 1 2 375.501 4.476 20 30 GIEDLO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccs1)C[C@H](C#N)CCC#N ZINC000120755323 823057902 /nfs/dbraw/zinc/05/79/02/823057902.db2.gz ACBMCGVMHHLRTM-KRWDZBQOSA-N 1 2 375.501 4.476 20 30 GIEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000055873681 823057993 /nfs/dbraw/zinc/05/79/93/823057993.db2.gz ZTDAWBQNYDXEGQ-LEWJYISDSA-N 1 2 387.886 4.213 20 30 GIEDLO C=C(C)[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000187611216 823097498 /nfs/dbraw/zinc/09/74/98/823097498.db2.gz YMODKRQCRDJGEA-FQEVSTJZSA-N 1 2 382.414 4.267 20 30 GIEDLO C=C(CC)CNC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000459067147 823123069 /nfs/dbraw/zinc/12/30/69/823123069.db2.gz BCQPCUUGDJTHFD-UHFFFAOYSA-N 1 2 378.879 4.244 20 30 GIEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000121131690 823123600 /nfs/dbraw/zinc/12/36/00/823123600.db2.gz HWUOCUFSQLELGP-MRXNPFEDSA-N 1 2 376.570 4.253 20 30 GIEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000121131690 823123605 /nfs/dbraw/zinc/12/36/05/823123605.db2.gz HWUOCUFSQLELGP-MRXNPFEDSA-N 1 2 376.570 4.253 20 30 GIEDLO COc1ccc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)cc1OCCCC#N ZINC000121375664 823172892 /nfs/dbraw/zinc/17/28/92/823172892.db2.gz NYMDYTDOGKUWAX-UHFFFAOYSA-N 1 2 380.423 4.315 20 30 GIEDLO COc1cc([C@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])ccc1OCC(C)C ZINC000459401054 823184218 /nfs/dbraw/zinc/18/42/18/823184218.db2.gz XDVMPKOWKGQYHN-HNNXBMFYSA-N 1 2 383.448 4.361 20 30 GIEDLO COc1cc(F)c(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1OC ZINC000572008613 823268607 /nfs/dbraw/zinc/26/86/07/823268607.db2.gz HSBDDWIYBTWXCC-UHFFFAOYSA-N 1 2 375.284 4.160 20 30 GIEDLO COc1cc(F)c(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1OC ZINC000572008613 823268612 /nfs/dbraw/zinc/26/86/12/823268612.db2.gz HSBDDWIYBTWXCC-UHFFFAOYSA-N 1 2 375.284 4.160 20 30 GIEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(C(F)(F)F)cc1 ZINC000008092431 817998902 /nfs/dbraw/zinc/99/89/02/817998902.db2.gz WYGVAXSWMCJOJW-UHFFFAOYSA-N 1 2 381.785 4.301 20 30 GIEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(C(F)(F)F)cc1 ZINC000008092431 817998910 /nfs/dbraw/zinc/99/89/10/817998910.db2.gz WYGVAXSWMCJOJW-UHFFFAOYSA-N 1 2 381.785 4.301 20 30 GIEDLO C=CCn1c(COc2ccccc2F)nn(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1=S ZINC000176832994 823304892 /nfs/dbraw/zinc/30/48/92/823304892.db2.gz YZQLZVHSJWAGSC-HNNXBMFYSA-N 1 2 390.528 4.396 20 30 GIEDLO C=CCn1c(COc2ccccc2F)nn(C[N@H+](C)[C@@H](C)C2(C)CC2)c1=S ZINC000176832994 823304896 /nfs/dbraw/zinc/30/48/96/823304896.db2.gz YZQLZVHSJWAGSC-HNNXBMFYSA-N 1 2 390.528 4.396 20 30 GIEDLO C=C(C)COc1cc(C[NH2+][C@@H](c2nccn2C)c2ccccc2)ccc1OC ZINC000057961159 823350662 /nfs/dbraw/zinc/35/06/62/823350662.db2.gz NVMAHHOPPVJPKA-JOCHJYFZSA-N 1 2 377.488 4.263 20 30 GIEDLO COc1cc(CSCCn2cc[nH+]c2)ccc1OCc1cccc(C#N)c1 ZINC000122450148 823356379 /nfs/dbraw/zinc/35/63/79/823356379.db2.gz IUVHCOJSADSIKH-UHFFFAOYSA-N 1 2 379.485 4.276 20 30 GIEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000022778829 818860194 /nfs/dbraw/zinc/86/01/94/818860194.db2.gz RFQSPCRTRRKMAQ-UHFFFAOYSA-N 1 2 392.890 4.184 20 30 GIEDLO C[N@H+](CCC#N)C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000177181009 823392809 /nfs/dbraw/zinc/39/28/09/823392809.db2.gz KJQHPXFZSNXDNC-IBGZPJMESA-N 1 2 393.314 4.306 20 30 GIEDLO C[N@@H+](CCC#N)C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000177181009 823392813 /nfs/dbraw/zinc/39/28/13/823392813.db2.gz KJQHPXFZSNXDNC-IBGZPJMESA-N 1 2 393.314 4.306 20 30 GIEDLO C[C@@H](c1nnc(SCc2cccc(C#N)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000024968276 819902375 /nfs/dbraw/zinc/90/23/75/819902375.db2.gz PVZUTQHCIAQINE-AWEZNQCLSA-N 1 2 381.480 4.193 20 30 GIEDLO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1C ZINC000028956503 820377403 /nfs/dbraw/zinc/37/74/03/820377403.db2.gz PDMZOZJKCGGYOJ-VWLOTQADSA-N 1 2 398.510 4.324 20 30 GIEDLO Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+](C)Cc3cccc(C#N)c3)cc2)cc1 ZINC000029723857 820506468 /nfs/dbraw/zinc/50/64/68/820506468.db2.gz OMXGXXVICDBOQF-UHFFFAOYSA-N 1 2 390.508 4.332 20 30 GIEDLO Cc1ccc(S(=O)(=O)c2ccc(C[N@H+](C)Cc3cccc(C#N)c3)cc2)cc1 ZINC000029723857 820506471 /nfs/dbraw/zinc/50/64/71/820506471.db2.gz OMXGXXVICDBOQF-UHFFFAOYSA-N 1 2 390.508 4.332 20 30 GIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+](C[C@H]2CCOC2)C2CC2)c1=S ZINC000123794611 823541491 /nfs/dbraw/zinc/54/14/91/823541491.db2.gz BPGWDUJAOQUDKA-QGZVFWFLSA-N 1 2 384.549 4.034 20 30 GIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1=S ZINC000123794611 823541493 /nfs/dbraw/zinc/54/14/93/823541493.db2.gz BPGWDUJAOQUDKA-QGZVFWFLSA-N 1 2 384.549 4.034 20 30 GIEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044567464 821609723 /nfs/dbraw/zinc/60/97/23/821609723.db2.gz YBMNTOQJDITUGZ-INIZCTEOSA-N 1 2 386.455 4.164 20 30 GIEDLO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000181701099 821950101 /nfs/dbraw/zinc/95/01/01/821950101.db2.gz UDDMVYBXXOCYOD-LJQANCHMSA-N 1 2 376.460 4.494 20 30 GIEDLO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000178605635 822395735 /nfs/dbraw/zinc/39/57/35/822395735.db2.gz RYRBZEOBOGMJJZ-HNNXBMFYSA-N 1 2 393.878 4.145 20 30 GIEDLO C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000179356783 822470628 /nfs/dbraw/zinc/47/06/28/822470628.db2.gz KEZHFJRZHQPSHE-YOEHRIQHSA-N 1 2 394.425 4.054 20 30 GIEDLO C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)[N@H+]1CCc2ccccc2C1 ZINC000179356783 822470629 /nfs/dbraw/zinc/47/06/29/822470629.db2.gz KEZHFJRZHQPSHE-YOEHRIQHSA-N 1 2 394.425 4.054 20 30 GIEDLO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046519178 822480509 /nfs/dbraw/zinc/48/05/09/822480509.db2.gz AIYKWOCBLFYMRL-QHCPKHFHSA-N 1 2 385.467 4.379 20 30 GIEDLO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046519178 822480512 /nfs/dbraw/zinc/48/05/12/822480512.db2.gz AIYKWOCBLFYMRL-QHCPKHFHSA-N 1 2 385.467 4.379 20 30 GIEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000183967584 822555426 /nfs/dbraw/zinc/55/54/26/822555426.db2.gz XXBNWPMRPOZEKG-OAHLLOKOSA-N 1 2 387.405 4.096 20 30 GIEDLO CCN(C(C)=O)c1nc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cs1 ZINC000180334908 822665411 /nfs/dbraw/zinc/66/54/11/822665411.db2.gz RAMYXUMMIYYYGF-UHFFFAOYSA-N 1 2 390.512 4.344 20 30 GIEDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccccc3C(C)(C)C#N)n2)c1 ZINC000185134671 822741338 /nfs/dbraw/zinc/74/13/38/822741338.db2.gz OQFVFUYGEYBCOR-HNNXBMFYSA-N 1 2 376.460 4.397 20 30 GIEDLO CC1CC[NH+](Cc2csc(NC(=O)CN(C)Cc3ccc(F)cc3)n2)CC1 ZINC000051533083 822764869 /nfs/dbraw/zinc/76/48/69/822764869.db2.gz YOXFMDXDMDOUEG-UHFFFAOYSA-N 1 2 390.528 4.234 20 30 GIEDLO CCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](C)c1ccccc1Br ZINC000052134836 822791195 /nfs/dbraw/zinc/79/11/95/822791195.db2.gz ZTQUECZUZGLSGC-IFXJQAMLSA-N 1 2 392.341 4.031 20 30 GIEDLO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](C)c1ccccc1Br ZINC000052134836 822791196 /nfs/dbraw/zinc/79/11/96/822791196.db2.gz ZTQUECZUZGLSGC-IFXJQAMLSA-N 1 2 392.341 4.031 20 30 GIEDLO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186284026 822870324 /nfs/dbraw/zinc/87/03/24/822870324.db2.gz RVLDKPNAYWCVLU-QZTJIDSGSA-N 1 2 387.487 4.048 20 30 GIEDLO C=CC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)Cc1ccc(OC)cc1 ZINC000054272254 822872341 /nfs/dbraw/zinc/87/23/41/822872341.db2.gz ACRBRRNLNNSVTH-UHFFFAOYSA-N 1 2 393.531 4.231 20 30 GIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)Cc1ccc(OC)cc1 ZINC000054272254 822872342 /nfs/dbraw/zinc/87/23/42/822872342.db2.gz ACRBRRNLNNSVTH-UHFFFAOYSA-N 1 2 393.531 4.231 20 30 GIEDLO N#Cc1cccc(OC2CC[NH+](Cc3cscc3Br)CC2)c1 ZINC000569391569 822915625 /nfs/dbraw/zinc/91/56/25/822915625.db2.gz SOYMLFAYPDZKPH-UHFFFAOYSA-N 1 2 377.307 4.426 20 30 GIEDLO N#C[C@H](C(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1nc2ccccc2s1 ZINC000570116033 823007135 /nfs/dbraw/zinc/00/71/35/823007135.db2.gz MNQUHXBIGUVMSS-QGZVFWFLSA-N 1 2 393.537 4.335 20 30 GIEDLO COc1cc(NC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)cc(OC)c1 ZINC000187281533 823036206 /nfs/dbraw/zinc/03/62/06/823036206.db2.gz GSYMXPRXLHXNHB-UHFFFAOYSA-N 1 2 385.895 4.305 20 30 GIEDLO CC[N@H+](CCC1(C#N)CCCCC1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000411156432 823552495 /nfs/dbraw/zinc/55/24/95/823552495.db2.gz QQSCJSPMOPSUNJ-UHFFFAOYSA-N 1 2 398.507 4.039 20 30 GIEDLO CC[N@@H+](CCC1(C#N)CCCCC1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000411156432 823552499 /nfs/dbraw/zinc/55/24/99/823552499.db2.gz QQSCJSPMOPSUNJ-UHFFFAOYSA-N 1 2 398.507 4.039 20 30 GIEDLO COc1ccccc1[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccccn1 ZINC000124098809 823567522 /nfs/dbraw/zinc/56/75/22/823567522.db2.gz YZFMOQNQYQSUMI-DEOSSOPVSA-N 1 2 386.499 4.319 20 30 GIEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412012784 823622688 /nfs/dbraw/zinc/62/26/88/823622688.db2.gz YOYQHUJWXYGKGZ-NRFANRHFSA-N 1 2 379.460 4.240 20 30 GIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CC=C)Cc1cccc(C#N)c1 ZINC000063300576 823661126 /nfs/dbraw/zinc/66/11/26/823661126.db2.gz MXOHMPRJKYJIHR-UHFFFAOYSA-N 1 2 377.513 4.463 20 30 GIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CC=C)Cc1cccc(C#N)c1 ZINC000063300576 823661127 /nfs/dbraw/zinc/66/11/27/823661127.db2.gz MXOHMPRJKYJIHR-UHFFFAOYSA-N 1 2 377.513 4.463 20 30 GIEDLO N#Cc1ccc(-c2nnc(C[N@H+](CCc3ccccc3)Cc3cccnc3)o2)cc1 ZINC000191355261 823675783 /nfs/dbraw/zinc/67/57/83/823675783.db2.gz SXQCPFWLNCOKEN-UHFFFAOYSA-N 1 2 395.466 4.248 20 30 GIEDLO N#Cc1ccc(-c2nnc(C[N@@H+](CCc3ccccc3)Cc3cccnc3)o2)cc1 ZINC000191355261 823675784 /nfs/dbraw/zinc/67/57/84/823675784.db2.gz SXQCPFWLNCOKEN-UHFFFAOYSA-N 1 2 395.466 4.248 20 30 GIEDLO COCC[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000063754273 823693536 /nfs/dbraw/zinc/69/35/36/823693536.db2.gz HXTALVVWIOSISR-UHFFFAOYSA-N 1 2 399.494 4.312 20 30 GIEDLO COCC[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000063754273 823693540 /nfs/dbraw/zinc/69/35/40/823693540.db2.gz HXTALVVWIOSISR-UHFFFAOYSA-N 1 2 399.494 4.312 20 30 GIEDLO C[C@@H](CCC#N)Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000412978897 823696337 /nfs/dbraw/zinc/69/63/37/823696337.db2.gz OTAWEQYVONSTTI-AWEZNQCLSA-N 1 2 375.929 4.301 20 30 GIEDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2Cc2ccc(N(C)CCC#N)cc2)n1 ZINC000191829818 823788063 /nfs/dbraw/zinc/78/80/63/823788063.db2.gz RCCKQHJFEYIMBT-IBGZPJMESA-N 1 2 398.532 4.007 20 30 GIEDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2Cc2ccc(N(C)CCC#N)cc2)n1 ZINC000191829818 823788072 /nfs/dbraw/zinc/78/80/72/823788072.db2.gz RCCKQHJFEYIMBT-IBGZPJMESA-N 1 2 398.532 4.007 20 30 GIEDLO N#CCCCC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000462030968 823803182 /nfs/dbraw/zinc/80/31/82/823803182.db2.gz LCHIHUJAQJIXQS-JOCHJYFZSA-N 1 2 381.907 4.267 20 30 GIEDLO O=C(NC1CC1)c1ccc(C[N@H+](CC#Cc2ccccc2)Cc2ccco2)cc1 ZINC000192083762 823854600 /nfs/dbraw/zinc/85/46/00/823854600.db2.gz JIHYUNYJHIWNKZ-UHFFFAOYSA-N 1 2 384.479 4.226 20 30 GIEDLO O=C(NC1CC1)c1ccc(C[N@@H+](CC#Cc2ccccc2)Cc2ccco2)cc1 ZINC000192083762 823854608 /nfs/dbraw/zinc/85/46/08/823854608.db2.gz JIHYUNYJHIWNKZ-UHFFFAOYSA-N 1 2 384.479 4.226 20 30 GIEDLO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)no1 ZINC000192339445 823952134 /nfs/dbraw/zinc/95/21/34/823952134.db2.gz ANDZDGCXJIWTIQ-UHFFFAOYSA-N 1 2 392.434 4.136 20 30 GIEDLO N#Cc1ccc(O[C@@H]2CCN(c3[nH+]ccc4cc(C(F)(F)F)ccc43)C2)nc1 ZINC000575498211 823974372 /nfs/dbraw/zinc/97/43/72/823974372.db2.gz VAKZMEVZDDRJSI-MRXNPFEDSA-N 1 2 384.361 4.178 20 30 GIEDLO CC[C@@H](C)Oc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000056758640 823207926 /nfs/dbraw/zinc/20/79/26/823207926.db2.gz HBDSCQRAFFXXMY-GOSISDBHSA-N 1 2 392.503 4.085 20 30 GIEDLO N#Cc1cccc(-c2csc(NC(=O)Cc3c[nH+]cn3Cc3ccccc3)n2)c1 ZINC000571966805 823262209 /nfs/dbraw/zinc/26/22/09/823262209.db2.gz YJHPRSXUZMBKKQ-UHFFFAOYSA-N 1 2 399.479 4.108 20 30 GIEDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000007718441 817902312 /nfs/dbraw/zinc/90/23/12/817902312.db2.gz RPDKGZOGRAGMNU-IBGZPJMESA-N 1 2 399.878 4.004 20 30 GIEDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000007718441 817902316 /nfs/dbraw/zinc/90/23/16/817902316.db2.gz RPDKGZOGRAGMNU-IBGZPJMESA-N 1 2 399.878 4.004 20 30 GIEDLO CC[C@@H](C)[N@H+](CC#Cc1cccc(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000122159278 823314662 /nfs/dbraw/zinc/31/46/62/823314662.db2.gz GGPMJWHPMUDPTE-MRXNPFEDSA-N 1 2 379.891 4.229 20 30 GIEDLO CC[C@@H](C)[N@@H+](CC#Cc1cccc(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000122159278 823314668 /nfs/dbraw/zinc/31/46/68/823314668.db2.gz GGPMJWHPMUDPTE-MRXNPFEDSA-N 1 2 379.891 4.229 20 30 GIEDLO N#Cc1cccc(NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC000409991553 823364734 /nfs/dbraw/zinc/36/47/34/823364734.db2.gz IYKDMOMGOIIYMR-UHFFFAOYSA-N 1 2 379.851 4.142 20 30 GIEDLO COc1cc(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)ccc1SC ZINC000177269962 823416076 /nfs/dbraw/zinc/41/60/76/823416076.db2.gz PBTVGXVRCAZYCD-UHFFFAOYSA-N 1 2 389.546 4.038 20 30 GIEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)ccc1SC ZINC000177269962 823416079 /nfs/dbraw/zinc/41/60/79/823416079.db2.gz PBTVGXVRCAZYCD-UHFFFAOYSA-N 1 2 389.546 4.038 20 30 GIEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000058715058 823438131 /nfs/dbraw/zinc/43/81/31/823438131.db2.gz CMHZXUAMQOSRDO-NRFANRHFSA-N 1 2 396.922 4.190 20 30 GIEDLO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026323919 820082938 /nfs/dbraw/zinc/08/29/38/820082938.db2.gz WITLVIVRWOHIQA-HSZRJFAPSA-N 1 2 385.467 4.379 20 30 GIEDLO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026323919 820082948 /nfs/dbraw/zinc/08/29/48/820082948.db2.gz WITLVIVRWOHIQA-HSZRJFAPSA-N 1 2 385.467 4.379 20 30 GIEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000060467483 823531519 /nfs/dbraw/zinc/53/15/19/823531519.db2.gz OJBYNUPYJSLWDZ-CQSZACIVSA-N 1 2 382.851 4.343 20 30 GIEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483482 823533271 /nfs/dbraw/zinc/53/32/71/823533271.db2.gz AMLHWWFKRCNGNF-OAHLLOKOSA-N 1 2 395.890 4.134 20 30 GIEDLO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H]2c2nnc3n2CCCCC3)c1 ZINC000123787038 823540674 /nfs/dbraw/zinc/54/06/74/823540674.db2.gz AXZAXCQPPXCFPB-FQEVSTJZSA-N 1 2 379.508 4.024 20 30 GIEDLO N#CCCCOc1cccc(C[N@H+]2CCC[C@H]2c2nnc3n2CCCCC3)c1 ZINC000123787038 823540676 /nfs/dbraw/zinc/54/06/76/823540676.db2.gz AXZAXCQPPXCFPB-FQEVSTJZSA-N 1 2 379.508 4.024 20 30 GIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000180760996 821440199 /nfs/dbraw/zinc/44/01/99/821440199.db2.gz DFDJXYOMOIMIRU-MRXNPFEDSA-N 1 2 380.517 4.079 20 30 GIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000180760996 821440202 /nfs/dbraw/zinc/44/02/02/821440202.db2.gz DFDJXYOMOIMIRU-MRXNPFEDSA-N 1 2 380.517 4.079 20 30 GIEDLO CC(C)c1csc(C(C#N)=C(O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)n1 ZINC000180781922 821454692 /nfs/dbraw/zinc/45/46/92/821454692.db2.gz AOISXRBAMUTTFR-IBGZPJMESA-N 1 2 396.560 4.287 20 30 GIEDLO N#Cc1ccc(C[N@@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C2CC2)cc1 ZINC000178520381 822387447 /nfs/dbraw/zinc/38/74/47/822387447.db2.gz KKOXPNMPJHCKJM-UHFFFAOYSA-N 1 2 384.361 4.190 20 30 GIEDLO N#Cc1ccc(C[N@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C2CC2)cc1 ZINC000178520381 822387453 /nfs/dbraw/zinc/38/74/53/822387453.db2.gz KKOXPNMPJHCKJM-UHFFFAOYSA-N 1 2 384.361 4.190 20 30 GIEDLO COc1ccc(-c2nc(C[N@H+](C)Cc3cccc(C#N)c3)cs2)c(OC)c1 ZINC000046518899 822480487 /nfs/dbraw/zinc/48/04/87/822480487.db2.gz ZGKCHVHGZWGGMX-UHFFFAOYSA-N 1 2 379.485 4.331 20 30 GIEDLO COc1ccc(-c2nc(C[N@@H+](C)Cc3cccc(C#N)c3)cs2)c(OC)c1 ZINC000046518899 822480490 /nfs/dbraw/zinc/48/04/90/822480490.db2.gz ZGKCHVHGZWGGMX-UHFFFAOYSA-N 1 2 379.485 4.331 20 30 GIEDLO C[C@H](c1cccc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000455475037 822661666 /nfs/dbraw/zinc/66/16/66/822661666.db2.gz KMUFNBPVGBGFEC-GOSISDBHSA-N 1 2 391.515 4.159 20 30 GIEDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)cs1 ZINC000184689757 822677282 /nfs/dbraw/zinc/67/72/82/822677282.db2.gz DUHGZBDJBYVPNT-KGLIPLIRSA-N 1 2 388.562 4.389 20 30 GIEDLO Cc1cc(Cl)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000455730864 822716023 /nfs/dbraw/zinc/71/60/23/822716023.db2.gz IJESFHHDDWRUGW-UHFFFAOYSA-N 1 2 382.895 4.178 20 30 GIEDLO Cc1ccc([C@H]([NH2+]Cc2ccc(C#N)o2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000174574306 822806840 /nfs/dbraw/zinc/80/68/40/822806840.db2.gz DVTGYJDWGXHBDD-JOCHJYFZSA-N 1 2 394.496 4.051 20 30 GIEDLO Cc1ccnc([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3SC[C@H](C)C#N)C2)c1 ZINC000569739732 822961460 /nfs/dbraw/zinc/96/14/60/822961460.db2.gz POEQUBBYDKGYIU-MSOLQXFVSA-N 1 2 394.544 4.070 20 30 GIEDLO Cc1ccnc([C@H]2CC[N@H+](CC(=O)Nc3ccccc3SC[C@H](C)C#N)C2)c1 ZINC000569739732 822961462 /nfs/dbraw/zinc/96/14/62/822961462.db2.gz POEQUBBYDKGYIU-MSOLQXFVSA-N 1 2 394.544 4.070 20 30 GIEDLO C[C@H](c1nc2ccccc2s1)[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000570273320 823021633 /nfs/dbraw/zinc/02/16/33/823021633.db2.gz VDNBKLOZIMUDCX-BEFAXECRSA-N 1 2 390.512 4.356 20 30 GIEDLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000570273320 823021635 /nfs/dbraw/zinc/02/16/35/823021635.db2.gz VDNBKLOZIMUDCX-BEFAXECRSA-N 1 2 390.512 4.356 20 30 GIEDLO COCC[N@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)Cc1ccc(C#N)cc1 ZINC000124227352 823578977 /nfs/dbraw/zinc/57/89/77/823578977.db2.gz WPIIMWNNRMKEIO-UHFFFAOYSA-N 1 2 389.377 4.367 20 30 GIEDLO COCC[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)Cc1ccc(C#N)cc1 ZINC000124227352 823578980 /nfs/dbraw/zinc/57/89/80/823578980.db2.gz WPIIMWNNRMKEIO-UHFFFAOYSA-N 1 2 389.377 4.367 20 30 GIEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000124693938 823618051 /nfs/dbraw/zinc/61/80/51/823618051.db2.gz STOXZEMDKIBHFB-UHFFFAOYSA-N 1 2 375.432 4.101 20 30 GIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)Cc1cccc(C#N)c1 ZINC000063300517 823661134 /nfs/dbraw/zinc/66/11/34/823661134.db2.gz RXEGPKWVWHYJAK-UHFFFAOYSA-N 1 2 388.515 4.094 20 30 GIEDLO C=CC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)Cc1cccc(C#N)c1 ZINC000063300517 823661135 /nfs/dbraw/zinc/66/11/35/823661135.db2.gz RXEGPKWVWHYJAK-UHFFFAOYSA-N 1 2 388.515 4.094 20 30 GIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000125412495 823674262 /nfs/dbraw/zinc/67/42/62/823674262.db2.gz ICFSDJAMWKQTIS-DLBZAZTESA-N 1 2 397.548 4.301 20 30 GIEDLO C(#Cc1ccccc1)CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000191462820 823687837 /nfs/dbraw/zinc/68/78/37/823687837.db2.gz VRQUDMZGAPWFRW-UHFFFAOYSA-N 1 2 388.540 4.066 20 30 GIEDLO CC(C)[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cccnc1 ZINC000125706420 823698467 /nfs/dbraw/zinc/69/84/67/823698467.db2.gz OQOCPIWLGIKWAG-UHFFFAOYSA-N 1 2 382.533 4.133 20 30 GIEDLO CC(C)[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cccnc1 ZINC000125706420 823698468 /nfs/dbraw/zinc/69/84/68/823698468.db2.gz OQOCPIWLGIKWAG-UHFFFAOYSA-N 1 2 382.533 4.133 20 30 GIEDLO COc1cc(C[N@H+](Cc2cc(C#N)ccc2Br)C2CC2)ccc1O ZINC000191817643 823780757 /nfs/dbraw/zinc/78/07/57/823780757.db2.gz HNUHIRHMORDCLN-UHFFFAOYSA-N 1 2 387.277 4.200 20 30 GIEDLO COc1cc(C[N@@H+](Cc2cc(C#N)ccc2Br)C2CC2)ccc1O ZINC000191817643 823780766 /nfs/dbraw/zinc/78/07/66/823780766.db2.gz HNUHIRHMORDCLN-UHFFFAOYSA-N 1 2 387.277 4.200 20 30 GIEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462252976 823900009 /nfs/dbraw/zinc/90/00/09/823900009.db2.gz GLJOUKOFDIYTAN-INIZCTEOSA-N 1 2 398.532 4.318 20 30 GIEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000126617168 823912708 /nfs/dbraw/zinc/91/27/08/823912708.db2.gz MOFWYKFUSSVACJ-UHFFFAOYSA-N 1 2 383.860 4.002 20 30 GIEDLO Fc1ccc(Cn2cc(C[N@H+]3CCC(C(F)(F)F)(C(F)(F)F)C3)cn2)cc1 ZINC000187338328 823045613 /nfs/dbraw/zinc/04/56/13/823045613.db2.gz OYQSIGUULGLGIS-UHFFFAOYSA-N 1 2 395.322 4.387 20 30 GIEDLO Fc1ccc(Cn2cc(C[N@@H+]3CCC(C(F)(F)F)(C(F)(F)F)C3)cn2)cc1 ZINC000187338328 823045608 /nfs/dbraw/zinc/04/56/08/823045608.db2.gz OYQSIGUULGLGIS-UHFFFAOYSA-N 1 2 395.322 4.387 20 30 GIEDLO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)n1cc[nH+]c1 ZINC000570518576 823049033 /nfs/dbraw/zinc/04/90/33/823049033.db2.gz DKJUIXDGHFDTSE-LBPRGKRZSA-N 1 2 382.411 4.497 20 30 GIEDLO COc1c(Br)cccc1CNc1[nH+]cccc1OCCCC#N ZINC000187607573 823096979 /nfs/dbraw/zinc/09/69/79/823096979.db2.gz VPMUMSVHSGIHBU-UHFFFAOYSA-N 1 2 376.254 4.147 20 30 GIEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc(SCC#N)c1 ZINC000176024409 823098459 /nfs/dbraw/zinc/09/84/59/823098459.db2.gz MOABTOVHXGESID-UHFFFAOYSA-N 1 2 394.544 4.076 20 30 GIEDLO N#Cc1c(F)cccc1C[NH+]1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000571021955 823121357 /nfs/dbraw/zinc/12/13/57/823121357.db2.gz CDHZBKNJHMEEKD-FQEVSTJZSA-N 1 2 383.854 4.299 20 30 GIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000459407103 823186143 /nfs/dbraw/zinc/18/61/43/823186143.db2.gz VKUQMUWYHQJHTN-QGZVFWFLSA-N 1 2 394.479 4.012 20 30 GIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000459407103 823186147 /nfs/dbraw/zinc/18/61/47/823186147.db2.gz VKUQMUWYHQJHTN-QGZVFWFLSA-N 1 2 394.479 4.012 20 30 GIEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000459462669 823197313 /nfs/dbraw/zinc/19/73/13/823197313.db2.gz KBDOUKOMDYXGQI-RISCZKNCSA-N 1 2 395.315 4.337 20 30 GIEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000459464913 823197913 /nfs/dbraw/zinc/19/79/13/823197913.db2.gz MTNYSBPDKWDUBK-HZMBPMFUSA-N 1 2 395.315 4.337 20 30 GIEDLO Cc1ccc2nc(-c3ccc(NC(=O)C[NH2+][C@@H]4CCC[C@@H]4C#N)cc3)sc2c1 ZINC000459471139 823199241 /nfs/dbraw/zinc/19/92/41/823199241.db2.gz VGCZLQBSTYWHNL-SJLPKXTDSA-N 1 2 390.512 4.492 20 30 GIEDLO C[C@@H](c1nnc(SCc2ccccc2C#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000006831892 817718189 /nfs/dbraw/zinc/71/81/89/817718189.db2.gz DTGPTTIPBNERIW-AWEZNQCLSA-N 1 2 381.480 4.193 20 30 GIEDLO CCC[N@H+](Cc1ncc(I)s1)Cc1ccc(C#N)cc1 ZINC000572165360 823293013 /nfs/dbraw/zinc/29/30/13/823293013.db2.gz CDLMYZCIDMRSGB-UHFFFAOYSA-N 1 2 397.285 4.032 20 30 GIEDLO CCC[N@@H+](Cc1ncc(I)s1)Cc1ccc(C#N)cc1 ZINC000572165360 823293018 /nfs/dbraw/zinc/29/30/18/823293018.db2.gz CDLMYZCIDMRSGB-UHFFFAOYSA-N 1 2 397.285 4.032 20 30 GIEDLO N#Cc1cccc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c1 ZINC000012134637 818143803 /nfs/dbraw/zinc/14/38/03/818143803.db2.gz KLCWGYFZWUMRRN-UHFFFAOYSA-N 1 2 375.501 4.027 20 30 GIEDLO CC(C)CCN(CCC#N)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000176882975 823316818 /nfs/dbraw/zinc/31/68/18/823316818.db2.gz JAGLKGSEFGRQJS-RTBURBONSA-N 1 2 386.540 4.089 20 30 GIEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000014321501 818234657 /nfs/dbraw/zinc/23/46/57/818234657.db2.gz AEZRVNHECBCIJR-HNNXBMFYSA-N 1 2 395.890 4.134 20 30 GIEDLO CN(C(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)C1(C#N)CCCCC1 ZINC000015050008 818287063 /nfs/dbraw/zinc/28/70/63/818287063.db2.gz GLEJHFLAVWFCDJ-HXUWFJFHSA-N 1 2 399.585 4.442 20 30 GIEDLO CN(C(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)C1(C#N)CCCCC1 ZINC000015050008 818287070 /nfs/dbraw/zinc/28/70/70/818287070.db2.gz GLEJHFLAVWFCDJ-HXUWFJFHSA-N 1 2 399.585 4.442 20 30 GIEDLO COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C#N)CC2)cc1Cl ZINC000057908101 823347299 /nfs/dbraw/zinc/34/72/99/823347299.db2.gz JTJVQFVHBFWKCG-FQEVSTJZSA-N 1 2 383.879 4.264 20 30 GIEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2c2ccccc2)nc1-c1ccncc1 ZINC000122527429 823367411 /nfs/dbraw/zinc/36/74/11/823367411.db2.gz SMPISFLIRGNVMR-LJQANCHMSA-N 1 2 377.517 4.457 20 30 GIEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]2c2ccccc2)nc1-c1ccncc1 ZINC000122527429 823367415 /nfs/dbraw/zinc/36/74/15/823367415.db2.gz SMPISFLIRGNVMR-LJQANCHMSA-N 1 2 377.517 4.457 20 30 GIEDLO C[N@H+](CCC#N)C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000177181030 823392693 /nfs/dbraw/zinc/39/26/93/823392693.db2.gz KJQHPXFZSNXDNC-LJQANCHMSA-N 1 2 393.314 4.306 20 30 GIEDLO C[N@@H+](CCC#N)C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000177181030 823392698 /nfs/dbraw/zinc/39/26/98/823392698.db2.gz KJQHPXFZSNXDNC-LJQANCHMSA-N 1 2 393.314 4.306 20 30 GIEDLO Cc1onc(-c2ccccc2)c1-c1nnc(C[NH2+][C@H](C)c2ccc(C#N)cc2)o1 ZINC000572987808 823430401 /nfs/dbraw/zinc/43/04/01/823430401.db2.gz JCQWTMOLEHMODM-CQSZACIVSA-N 1 2 385.427 4.423 20 30 GIEDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C#Cc2ccccc2)cc1 ZINC000030218067 820588238 /nfs/dbraw/zinc/58/82/38/820588238.db2.gz AFAJPJQMDWGTFF-UHFFFAOYSA-N 1 2 391.474 4.261 20 30 GIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc4c5c(cccc53)CC4)CC2)cc1 ZINC000043905463 821487908 /nfs/dbraw/zinc/48/79/08/821487908.db2.gz VQKUYYCENCUNSP-UHFFFAOYSA-N 1 2 396.494 4.160 20 30 GIEDLO C=CCOc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000046345565 822464385 /nfs/dbraw/zinc/46/43/85/822464385.db2.gz ISBNHCXRLDFQMI-ROUUACIJSA-N 1 2 380.488 4.113 20 30 GIEDLO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2SC)cc1OC ZINC000179626327 822515268 /nfs/dbraw/zinc/51/52/68/822515268.db2.gz VGGSMYVYJKUDEJ-UHFFFAOYSA-N 1 2 386.517 4.052 20 30 GIEDLO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2SC)cc1OC ZINC000179626327 822515272 /nfs/dbraw/zinc/51/52/72/822515272.db2.gz VGGSMYVYJKUDEJ-UHFFFAOYSA-N 1 2 386.517 4.052 20 30 GIEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000047029046 822538427 /nfs/dbraw/zinc/53/84/27/822538427.db2.gz NANDHCRQJATVNH-KXBFYZLASA-N 1 2 393.878 4.402 20 30 GIEDLO COC(=O)c1sc2ncc(C(=O)/C=C/c3c[nH+]c4c(C)cccn34)cc2c1C ZINC000179738559 822539629 /nfs/dbraw/zinc/53/96/29/822539629.db2.gz HYXKRIHISLTSPB-VOTSOKGWSA-N 1 2 391.452 4.244 20 30 GIEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000454940265 822560567 /nfs/dbraw/zinc/56/05/67/822560567.db2.gz CGMYMTVNZGWNJB-UHFFFAOYSA-N 1 2 382.533 4.208 20 30 GIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](C)c2nccs2)c1C#N ZINC000184419493 822631802 /nfs/dbraw/zinc/63/18/02/822631802.db2.gz HDTHPTDOVBNFLR-AWEZNQCLSA-N 1 2 385.537 4.228 20 30 GIEDLO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000180443721 822683002 /nfs/dbraw/zinc/68/30/02/822683002.db2.gz VIARBEMOIFAVAR-IBGZPJMESA-N 1 2 387.443 4.244 20 30 GIEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000180517449 822694964 /nfs/dbraw/zinc/69/49/64/822694964.db2.gz DOEPIMVWUNTIOI-KBXCAEBGSA-N 1 2 397.548 4.054 20 30 GIEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000180517449 822694967 /nfs/dbraw/zinc/69/49/67/822694967.db2.gz DOEPIMVWUNTIOI-KBXCAEBGSA-N 1 2 397.548 4.054 20 30 GIEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000180523144 822695829 /nfs/dbraw/zinc/69/58/29/822695829.db2.gz VQESREOZOJFTMM-KSSFIOAISA-N 1 2 397.548 4.196 20 30 GIEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000180523144 822695831 /nfs/dbraw/zinc/69/58/31/822695831.db2.gz VQESREOZOJFTMM-KSSFIOAISA-N 1 2 397.548 4.196 20 30 GIEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180564048 822703365 /nfs/dbraw/zinc/70/33/65/822703365.db2.gz MWISJMVFCNHSLP-PMACEKPBSA-N 1 2 397.881 4.209 20 30 GIEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180564048 822703368 /nfs/dbraw/zinc/70/33/68/822703368.db2.gz MWISJMVFCNHSLP-PMACEKPBSA-N 1 2 397.881 4.209 20 30 GIEDLO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)c1nccs1 ZINC000185091348 822735715 /nfs/dbraw/zinc/73/57/15/822735715.db2.gz ODCWEUHFJCYURV-GOSISDBHSA-N 1 2 393.516 4.102 20 30 GIEDLO Cc1ccc(OC2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)cc1C ZINC000051992024 822786274 /nfs/dbraw/zinc/78/62/74/822786274.db2.gz NFMXKIHDERVQEB-GOSISDBHSA-N 1 2 377.488 4.046 20 30 GIEDLO C#CCOc1ccc(Br)cc1C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000174474874 822794823 /nfs/dbraw/zinc/79/48/23/822794823.db2.gz HHWYYXOZJUFDNC-UHFFFAOYSA-N 1 2 397.272 4.406 20 30 GIEDLO C#CC[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@@H]1CCc2ccccc21 ZINC000053609732 822842589 /nfs/dbraw/zinc/84/25/89/822842589.db2.gz MGJDNAYVBKQAPI-OAQYLSRUSA-N 1 2 387.508 4.032 20 30 GIEDLO C#CC[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@@H]1CCc2ccccc21 ZINC000053609732 822842591 /nfs/dbraw/zinc/84/25/91/822842591.db2.gz MGJDNAYVBKQAPI-OAQYLSRUSA-N 1 2 387.508 4.032 20 30 GIEDLO CC[N@H+](Cc1nc(COc2ccc(F)cc2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340411 822876992 /nfs/dbraw/zinc/87/69/92/822876992.db2.gz YMRSMSMGWQGAIN-OAHLLOKOSA-N 1 2 380.423 4.242 20 30 GIEDLO CC[N@@H+](Cc1nc(COc2ccc(F)cc2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340411 822876993 /nfs/dbraw/zinc/87/69/93/822876993.db2.gz YMRSMSMGWQGAIN-OAHLLOKOSA-N 1 2 380.423 4.242 20 30 GIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000175126174 822887662 /nfs/dbraw/zinc/88/76/62/822887662.db2.gz ZTORNMSXTYZAEK-YLJYHZDGSA-N 1 2 396.560 4.443 20 30 GIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000175126174 822887665 /nfs/dbraw/zinc/88/76/65/822887665.db2.gz ZTORNMSXTYZAEK-YLJYHZDGSA-N 1 2 396.560 4.443 20 30 GIEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000411191930 823556049 /nfs/dbraw/zinc/55/60/49/823556049.db2.gz KVRUDNZVVUTUMQ-APWZRJJASA-N 1 2 399.516 4.397 20 30 GIEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000411191930 823556051 /nfs/dbraw/zinc/55/60/51/823556051.db2.gz KVRUDNZVVUTUMQ-APWZRJJASA-N 1 2 399.516 4.397 20 30 GIEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2SCC#N)cc1Cl ZINC000412046985 823624045 /nfs/dbraw/zinc/62/40/45/823624045.db2.gz TXPUXAQKAIXMEZ-UHFFFAOYSA-N 1 2 389.908 4.035 20 30 GIEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2SCC#N)cc1Cl ZINC000412046985 823624046 /nfs/dbraw/zinc/62/40/46/823624046.db2.gz TXPUXAQKAIXMEZ-UHFFFAOYSA-N 1 2 389.908 4.035 20 30 GIEDLO C[C@@H](c1nnc(SCc2ccc(C#N)c(F)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000191454911 823687047 /nfs/dbraw/zinc/68/70/47/823687047.db2.gz CBAZZMIVCMGYBF-ZDUSSCGKSA-N 1 2 399.470 4.332 20 30 GIEDLO C[C@H](c1nnc(SCc2ccc(C#N)s2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000574823302 823835132 /nfs/dbraw/zinc/83/51/32/823835132.db2.gz TUGRHIAYFCITFB-GFCCVEGCSA-N 1 2 387.509 4.254 20 30 GIEDLO C=C(C)[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000574966442 823875317 /nfs/dbraw/zinc/87/53/17/823875317.db2.gz LMEDONYVXNNOGZ-JOCHJYFZSA-N 1 2 381.426 4.186 20 30 GIEDLO C=C(C)COc1cc(C[N@H+](C)Cc2nc(-c3cccs3)no2)ccc1OC ZINC000575598535 823978145 /nfs/dbraw/zinc/97/81/45/823978145.db2.gz CFDZJBGQOOTOSD-UHFFFAOYSA-N 1 2 385.489 4.394 20 30 GIEDLO C=C(C)COc1cc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)ccc1OC ZINC000575598535 823978150 /nfs/dbraw/zinc/97/81/50/823978150.db2.gz CFDZJBGQOOTOSD-UHFFFAOYSA-N 1 2 385.489 4.394 20 30 GIEDLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](CCCC#N)c2ccccc2)c1C ZINC000458796335 823086833 /nfs/dbraw/zinc/08/68/33/823086833.db2.gz DPDJNMQHGVIHDT-LJQANCHMSA-N 1 2 380.492 4.284 20 30 GIEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)ccc1Cl ZINC000571414151 823179795 /nfs/dbraw/zinc/17/97/95/823179795.db2.gz GWSYIJOJZBIGCV-UHFFFAOYSA-N 1 2 394.906 4.079 20 30 GIEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC=C(c3ccccn3)C2)ccc1Cl ZINC000571414151 823179796 /nfs/dbraw/zinc/17/97/96/823179796.db2.gz GWSYIJOJZBIGCV-UHFFFAOYSA-N 1 2 394.906 4.079 20 30 GIEDLO N#Cc1ccc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c(F)c1 ZINC000014044053 818217780 /nfs/dbraw/zinc/21/77/80/818217780.db2.gz YCFYCKUFBCNYHF-UHFFFAOYSA-N 1 2 393.491 4.166 20 30 GIEDLO C[C@]12CC3CC(C(=O)N4CC[NH+](Cc5ccc(C#N)cc5)CC4)(C1)C[C@@](C)(C3)C2 ZINC000017843088 818530435 /nfs/dbraw/zinc/53/04/35/818530435.db2.gz BQCSDJWWOGWDKW-AABVNVKOSA-N 1 2 391.559 4.199 20 30 GIEDLO N#Cc1ccc(C[NH+]2CCN(Cc3csc(Nc4ccccc4)n3)CC2)cc1 ZINC000057883426 823344521 /nfs/dbraw/zinc/34/45/21/823344521.db2.gz LEAAIRPLXHSNAY-UHFFFAOYSA-N 1 2 389.528 4.076 20 30 GIEDLO N#Cc1cccc(-c2cc(-c3nc(-c4cccc(-n5cc[nH+]c5)c4)no3)on2)c1 ZINC000572561530 823361340 /nfs/dbraw/zinc/36/13/40/823361340.db2.gz GLELDJWYRRDFTE-UHFFFAOYSA-N 1 2 380.367 4.116 20 30 GIEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]2c2ccccc2)nc1-c1ccncc1 ZINC000122527680 823367386 /nfs/dbraw/zinc/36/73/86/823367386.db2.gz SMPISFLIRGNVMR-IBGZPJMESA-N 1 2 377.517 4.457 20 30 GIEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]2c2ccccc2)nc1-c1ccncc1 ZINC000122527680 823367392 /nfs/dbraw/zinc/36/73/92/823367392.db2.gz SMPISFLIRGNVMR-IBGZPJMESA-N 1 2 377.517 4.457 20 30 GIEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2sc(C)c(C)c2C#N)cc1OC ZINC000177174451 823391131 /nfs/dbraw/zinc/39/11/31/823391131.db2.gz LUPODZDOALYQSC-KRWDZBQOSA-N 1 2 399.516 4.029 20 30 GIEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2sc(C)c(C)c2C#N)cc1OC ZINC000177174451 823391137 /nfs/dbraw/zinc/39/11/37/823391137.db2.gz LUPODZDOALYQSC-KRWDZBQOSA-N 1 2 399.516 4.029 20 30 GIEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cn2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000572981839 823429743 /nfs/dbraw/zinc/42/97/43/823429743.db2.gz CSMSQIDEABRIMZ-GOSISDBHSA-N 1 2 375.394 4.324 20 30 GIEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cn2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000572981839 823429745 /nfs/dbraw/zinc/42/97/45/823429745.db2.gz CSMSQIDEABRIMZ-GOSISDBHSA-N 1 2 375.394 4.324 20 30 GIEDLO CC(C)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000177380169 823449660 /nfs/dbraw/zinc/44/96/60/823449660.db2.gz LXRRJNCBGWBRBU-ZWKOTPCHSA-N 1 2 389.565 4.014 20 30 GIEDLO CC(C)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000177380169 823449662 /nfs/dbraw/zinc/44/96/62/823449662.db2.gz LXRRJNCBGWBRBU-ZWKOTPCHSA-N 1 2 389.565 4.014 20 30 GIEDLO CO[C@H](C)c1nc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)cs1 ZINC000177568303 823493163 /nfs/dbraw/zinc/49/31/63/823493163.db2.gz POVOUGRPTVGPQA-OAHLLOKOSA-N 1 2 397.500 4.267 20 30 GIEDLO CN(C(=O)C[NH+](Cc1cccs1)Cc1cccs1)C1(C#N)CCCCC1 ZINC000032775755 821007047 /nfs/dbraw/zinc/00/70/47/821007047.db2.gz IETYFIGYYLRSAP-UHFFFAOYSA-N 1 2 387.574 4.497 20 30 GIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1=S ZINC000123794381 823541306 /nfs/dbraw/zinc/54/13/06/823541306.db2.gz BPGWDUJAOQUDKA-KRWDZBQOSA-N 1 2 384.549 4.034 20 30 GIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1=S ZINC000123794381 823541311 /nfs/dbraw/zinc/54/13/11/823541311.db2.gz BPGWDUJAOQUDKA-KRWDZBQOSA-N 1 2 384.549 4.034 20 30 GIEDLO CCc1cccc(CC)c1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043340862 821394945 /nfs/dbraw/zinc/39/49/45/821394945.db2.gz ZJWFSIGKFBTDIR-UHFFFAOYSA-N 1 2 376.504 4.033 20 30 GIEDLO C=CCN(Cc1cccs1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517344 821421338 /nfs/dbraw/zinc/42/13/38/821421338.db2.gz DIDSVOCVSQOKGJ-UHFFFAOYSA-N 1 2 376.551 4.411 20 30 GIEDLO Cn1cc([C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c2cccc(F)c2)cn1 ZINC000180926073 821542356 /nfs/dbraw/zinc/54/23/56/821542356.db2.gz FPSUVWLYXSIXQL-HXUWFJFHSA-N 1 2 387.380 4.309 20 30 GIEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CC#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181156012 821668447 /nfs/dbraw/zinc/66/84/47/821668447.db2.gz FJVAFDUTHMJOAF-PMACEKPBSA-N 1 2 385.870 4.110 20 30 GIEDLO CC[N@H+]1CC[C@H](NC(=O)c2cccc(CC#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181156012 821668453 /nfs/dbraw/zinc/66/84/53/821668453.db2.gz FJVAFDUTHMJOAF-PMACEKPBSA-N 1 2 385.870 4.110 20 30 GIEDLO N#Cc1csc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000181492489 821851131 /nfs/dbraw/zinc/85/11/31/821851131.db2.gz MWOLDOQIEAABBN-UHFFFAOYSA-N 1 2 394.327 4.321 20 30 GIEDLO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000178605644 822395761 /nfs/dbraw/zinc/39/57/61/822395761.db2.gz RYRBZEOBOGMJJZ-OAHLLOKOSA-N 1 2 393.878 4.145 20 30 GIEDLO Cc1cccc(C2=CC[N@H+](CC(=O)Nc3ccccc3SCC#N)CC2)c1 ZINC000179400419 822477316 /nfs/dbraw/zinc/47/73/16/822477316.db2.gz ZFBHTATZHHDMEB-UHFFFAOYSA-N 1 2 377.513 4.339 20 30 GIEDLO Cc1cccc(C2=CC[N@@H+](CC(=O)Nc3ccccc3SCC#N)CC2)c1 ZINC000179400419 822477321 /nfs/dbraw/zinc/47/73/21/822477321.db2.gz ZFBHTATZHHDMEB-UHFFFAOYSA-N 1 2 377.513 4.339 20 30 GIEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000179546232 822500945 /nfs/dbraw/zinc/50/09/45/822500945.db2.gz JNDUXSPENRSFDR-VQTJNVASSA-N 1 2 398.457 4.333 20 30 GIEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000179546232 822500946 /nfs/dbraw/zinc/50/09/46/822500946.db2.gz JNDUXSPENRSFDR-VQTJNVASSA-N 1 2 398.457 4.333 20 30 GIEDLO C#CCOc1ccccc1C[N@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000179605709 822511370 /nfs/dbraw/zinc/51/13/70/822511370.db2.gz LHVRIRQRXYPXGJ-UHFFFAOYSA-N 1 2 390.405 4.178 20 30 GIEDLO C#CCOc1ccccc1C[N@@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000179605709 822511374 /nfs/dbraw/zinc/51/13/74/822511374.db2.gz LHVRIRQRXYPXGJ-UHFFFAOYSA-N 1 2 390.405 4.178 20 30 GIEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(C(C)(C)C)cs1 ZINC000184477242 822642605 /nfs/dbraw/zinc/64/26/05/822642605.db2.gz RFJWCEKLYHEDKP-NSHDSACASA-N 1 2 376.913 4.255 20 30 GIEDLO Cc1sc(NC(=O)C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c(C#N)c1C ZINC000184501871 822646445 /nfs/dbraw/zinc/64/64/45/822646445.db2.gz SFURBNVRJLKFHX-LLVKDONJSA-N 1 2 376.551 4.280 20 30 GIEDLO C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N(CCC#N)c1ccccc1 ZINC000184890749 822708291 /nfs/dbraw/zinc/70/82/91/822708291.db2.gz CEHVDBXATWXVMI-ROUUACIJSA-N 1 2 388.471 4.328 20 30 GIEDLO CCCCOc1ccc(-c2nnc(C[N@H+](C)Cc3ccc(C#N)cc3)o2)cc1 ZINC000051401082 822758677 /nfs/dbraw/zinc/75/86/77/822758677.db2.gz QIIBJIZHPDLWLU-UHFFFAOYSA-N 1 2 376.460 4.419 20 30 GIEDLO CCCCOc1ccc(-c2nnc(C[N@@H+](C)Cc3ccc(C#N)cc3)o2)cc1 ZINC000051401082 822758678 /nfs/dbraw/zinc/75/86/78/822758678.db2.gz QIIBJIZHPDLWLU-UHFFFAOYSA-N 1 2 376.460 4.419 20 30 GIEDLO C=CCn1c(COc2ccccc2F)nn(C[N@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000174962088 822861863 /nfs/dbraw/zinc/86/18/63/822861863.db2.gz GZKVFCZXBHTUFO-HUUCEWRRSA-N 1 2 376.501 4.006 20 30 GIEDLO C=CCn1c(COc2ccccc2F)nn(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000174962088 822861864 /nfs/dbraw/zinc/86/18/64/822861864.db2.gz GZKVFCZXBHTUFO-HUUCEWRRSA-N 1 2 376.501 4.006 20 30 GIEDLO C=CCn1c(COc2ccccc2F)nn(C[N@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000174962107 822861977 /nfs/dbraw/zinc/86/19/77/822861977.db2.gz GZKVFCZXBHTUFO-LSDHHAIUSA-N 1 2 376.501 4.006 20 30 GIEDLO C=CCn1c(COc2ccccc2F)nn(C[N@@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000174962107 822861978 /nfs/dbraw/zinc/86/19/78/822861978.db2.gz GZKVFCZXBHTUFO-LSDHHAIUSA-N 1 2 376.501 4.006 20 30 GIEDLO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186284008 822870406 /nfs/dbraw/zinc/87/04/06/822870406.db2.gz RVLDKPNAYWCVLU-ZWKOTPCHSA-N 1 2 387.487 4.048 20 30 GIEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000186293208 822872203 /nfs/dbraw/zinc/87/22/03/822872203.db2.gz VFAMKUGGDFQSPH-CVEARBPZSA-N 1 2 393.516 4.110 20 30 GIEDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(C#N)cc1Br ZINC000186560107 822913233 /nfs/dbraw/zinc/91/32/33/822913233.db2.gz FWOKUTNNNGFYDJ-UHFFFAOYSA-N 1 2 383.293 4.232 20 30 GIEDLO CSc1ccc([C@@H](CNC(=O)C(C)(C)C#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000055389049 822956630 /nfs/dbraw/zinc/95/66/30/822956630.db2.gz YGBZWNXTYMEIKF-GOSISDBHSA-N 1 2 399.585 4.235 20 30 GIEDLO CSc1ccc([C@@H](CNC(=O)C(C)(C)C#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000055389049 822956633 /nfs/dbraw/zinc/95/66/33/822956633.db2.gz YGBZWNXTYMEIKF-GOSISDBHSA-N 1 2 399.585 4.235 20 30 GIEDLO C[C@@H](c1nnc(S[C@@H](C#N)c2ccccc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000569709365 822957580 /nfs/dbraw/zinc/95/75/80/822957580.db2.gz CLDXWTCALIUMBS-KSSFIOAISA-N 1 2 381.480 4.386 20 30 GIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(c2ccsc2)CC1 ZINC000186914990 822979395 /nfs/dbraw/zinc/97/93/95/822979395.db2.gz FZXHPWGTCBETGD-CYBMUJFWSA-N 1 2 385.558 4.377 20 30 GIEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(SCC#N)c2)C[C@@H](C)O1 ZINC000175631036 823009911 /nfs/dbraw/zinc/00/99/11/823009911.db2.gz RABLINIHJLLTAB-IAGOWNOFSA-N 1 2 395.528 4.164 20 30 GIEDLO C[C@H](c1nc2ccccc2s1)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000570273326 823021670 /nfs/dbraw/zinc/02/16/70/823021670.db2.gz VDNBKLOZIMUDCX-DNVCBOLYSA-N 1 2 390.512 4.356 20 30 GIEDLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000570273326 823021672 /nfs/dbraw/zinc/02/16/72/823021672.db2.gz VDNBKLOZIMUDCX-DNVCBOLYSA-N 1 2 390.512 4.356 20 30 GIEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)[C@H]2CCc3ccccc32)c1=S ZINC000177916043 823545892 /nfs/dbraw/zinc/54/58/92/823545892.db2.gz ZMXIQQQSQMSZHU-IBGZPJMESA-N 1 2 377.517 4.239 20 30 GIEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)[C@H]2CCc3ccccc32)c1=S ZINC000177916043 823545894 /nfs/dbraw/zinc/54/58/94/823545894.db2.gz ZMXIQQQSQMSZHU-IBGZPJMESA-N 1 2 377.517 4.239 20 30 GIEDLO N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000123919377 823551781 /nfs/dbraw/zinc/55/17/81/823551781.db2.gz PJIRBUWQUDHOSE-UHFFFAOYSA-N 1 2 397.478 4.310 20 30 GIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000411190639 823555656 /nfs/dbraw/zinc/55/56/56/823555656.db2.gz IDXZRANPCPIDEG-GOSISDBHSA-N 1 2 390.462 4.021 20 30 GIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000411190639 823555660 /nfs/dbraw/zinc/55/56/60/823555660.db2.gz IDXZRANPCPIDEG-GOSISDBHSA-N 1 2 390.462 4.021 20 30 GIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000125010054 823644810 /nfs/dbraw/zinc/64/48/10/823644810.db2.gz XIADQUDACDSWBG-DLBZAZTESA-N 1 2 397.548 4.158 20 30 GIEDLO C=CC[N@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000063388322 823666296 /nfs/dbraw/zinc/66/62/96/823666296.db2.gz XOAASPZQMXOGQU-UHFFFAOYSA-N 1 2 399.494 4.368 20 30 GIEDLO C=CC[N@@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000063388322 823666298 /nfs/dbraw/zinc/66/62/98/823666298.db2.gz XOAASPZQMXOGQU-UHFFFAOYSA-N 1 2 399.494 4.368 20 30 GIEDLO C[C@H](C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000461903634 823747181 /nfs/dbraw/zinc/74/71/81/823747181.db2.gz VPTXFNFSRCUYAY-MGPUTAFESA-N 1 2 399.897 4.408 20 30 GIEDLO N#Cc1ccc(Br)c(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000191772364 823762973 /nfs/dbraw/zinc/76/29/73/823762973.db2.gz IJINKZCXJFRHKH-UHFFFAOYSA-N 1 2 383.289 4.416 20 30 GIEDLO COc1cc(F)c([C@@H](C)[NH2+]Cc2cc(C#N)ccc2Br)cc1OC ZINC000191821087 823782289 /nfs/dbraw/zinc/78/22/89/823782289.db2.gz YPGQHRJWICGXRE-LLVKDONJSA-N 1 2 393.256 4.328 20 30 GIEDLO Cc1cc([C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2ccccc2Cl)ccc1F ZINC000462175886 823854484 /nfs/dbraw/zinc/85/44/84/823854484.db2.gz LBSLPVLBJYKNSX-FCHUYYIVSA-N 1 2 399.897 4.275 20 30 GIEDLO CC(C)Oc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1C#N ZINC000462283751 823912376 /nfs/dbraw/zinc/91/23/76/823912376.db2.gz MJSKCUPMWCOLEK-INIZCTEOSA-N 1 2 398.532 4.318 20 30 GIEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000462365012 823942738 /nfs/dbraw/zinc/94/27/38/823942738.db2.gz KKEXVULGOJFKPM-MRXNPFEDSA-N 1 2 383.517 4.028 20 30 GIEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000462365012 823942745 /nfs/dbraw/zinc/94/27/45/823942745.db2.gz KKEXVULGOJFKPM-MRXNPFEDSA-N 1 2 383.517 4.028 20 30 GIEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)[C@H]2CCc3ccccc32)c1=S ZINC000192515662 824017282 /nfs/dbraw/zinc/01/72/82/824017282.db2.gz JTNABJXCVACZIJ-IBGZPJMESA-N 1 2 377.517 4.239 20 30 GIEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)[C@H]2CCc3ccccc32)c1=S ZINC000192515662 824017287 /nfs/dbraw/zinc/01/72/87/824017287.db2.gz JTNABJXCVACZIJ-IBGZPJMESA-N 1 2 377.517 4.239 20 30 GIEDLO COc1ccc([NH+]2CCC(N(C)C(=O)Nc3cc(C#N)ccc3C)CC2)cc1 ZINC000359900683 209201709 /nfs/dbraw/zinc/20/17/09/209201709.db2.gz BKFBYFPTLWEIOA-UHFFFAOYSA-N 1 2 378.476 4.008 20 30 GIEDLO N#CCC[C@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccccc1 ZINC000120758145 823058445 /nfs/dbraw/zinc/05/84/45/823058445.db2.gz LXXMDLAGKMRKBH-IBGZPJMESA-N 1 2 389.459 4.129 20 30 GIEDLO C=CCN(Cc1ccccc1)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176003723 823093118 /nfs/dbraw/zinc/09/31/18/823093118.db2.gz BVJAOFNQXJJDPK-UHFFFAOYSA-N 1 2 392.547 4.119 20 30 GIEDLO C=C(C)[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000570975892 823114181 /nfs/dbraw/zinc/11/41/81/823114181.db2.gz LTVJRCFZSIZUNE-OAQYLSRUSA-N 1 2 396.441 4.326 20 30 GIEDLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000176321126 823181529 /nfs/dbraw/zinc/18/15/29/823181529.db2.gz VYGAVBWURWFFPX-QGZVFWFLSA-N 1 2 379.504 4.031 20 30 GIEDLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000176321126 823181534 /nfs/dbraw/zinc/18/15/34/823181534.db2.gz VYGAVBWURWFFPX-QGZVFWFLSA-N 1 2 379.504 4.031 20 30 GIEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)c[nH+]c12 ZINC000176408893 823201933 /nfs/dbraw/zinc/20/19/33/823201933.db2.gz JRZNONAPQQCYHG-JLHYYAGUSA-N 1 2 394.496 4.255 20 30 GIEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000056745420 823205256 /nfs/dbraw/zinc/20/52/56/823205256.db2.gz MVWHCCBOJAQJQI-UHFFFAOYSA-N 1 2 389.459 4.457 20 30 GIEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000121904111 823273871 /nfs/dbraw/zinc/27/38/71/823273871.db2.gz LSIQTYGNMVIMKS-AOMKIAJQSA-N 1 2 399.922 4.036 20 30 GIEDLO C=CCn1c(SCc2cn3cc(C)ccc3[nH+]2)nnc1-c1ccc(OC)cc1 ZINC000005853976 817622447 /nfs/dbraw/zinc/62/24/47/817622447.db2.gz AHALQLAAFOYCQL-UHFFFAOYSA-N 1 2 391.500 4.388 20 30 GIEDLO N#Cc1ccc(F)c(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c1 ZINC000012134665 818143873 /nfs/dbraw/zinc/14/38/73/818143873.db2.gz JEZZEPLLDPLXRP-UHFFFAOYSA-N 1 2 393.491 4.166 20 30 GIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)c1C#N ZINC000014068066 818219858 /nfs/dbraw/zinc/21/98/58/818219858.db2.gz JQFHYXHJDIABKH-OAQYLSRUSA-N 1 2 393.535 4.206 20 30 GIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)c1C#N ZINC000014068066 818219865 /nfs/dbraw/zinc/21/98/65/818219865.db2.gz JQFHYXHJDIABKH-OAQYLSRUSA-N 1 2 393.535 4.206 20 30 GIEDLO N#Cc1csc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000177043830 823358097 /nfs/dbraw/zinc/35/80/97/823358097.db2.gz DGPUWKWDCMCENV-UHFFFAOYSA-N 1 2 398.491 4.462 20 30 GIEDLO C[C@@H]1CN(c2ccc(NCc3ccc(C#N)cc3C(F)(F)F)c[nH+]2)C[C@H](C)O1 ZINC000572651507 823375656 /nfs/dbraw/zinc/37/56/56/823375656.db2.gz DLHWADVODCYZFS-OKILXGFUSA-N 1 2 390.409 4.198 20 30 GIEDLO C[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000122795926 823413411 /nfs/dbraw/zinc/41/34/11/823413411.db2.gz QDXAMCDKSCTPBN-VGOFRKELSA-N 1 2 386.455 4.270 20 30 GIEDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000189506116 823433065 /nfs/dbraw/zinc/43/30/65/823433065.db2.gz HIEKWQIKYHKKDT-QRWLVFNGSA-N 1 2 383.879 4.002 20 30 GIEDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000189506116 823433068 /nfs/dbraw/zinc/43/30/68/823433068.db2.gz HIEKWQIKYHKKDT-QRWLVFNGSA-N 1 2 383.879 4.002 20 30 GIEDLO C[N@H+](Cc1nnc(-c2ccccc2Br)o1)Cc1cccc(C#N)c1 ZINC000026326534 820084459 /nfs/dbraw/zinc/08/44/59/820084459.db2.gz KSNCIGUKHLSWPZ-UHFFFAOYSA-N 1 2 383.249 4.003 20 30 GIEDLO C[N@@H+](Cc1nnc(-c2ccccc2Br)o1)Cc1cccc(C#N)c1 ZINC000026326534 820084469 /nfs/dbraw/zinc/08/44/69/820084469.db2.gz KSNCIGUKHLSWPZ-UHFFFAOYSA-N 1 2 383.249 4.003 20 30 GIEDLO C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1ccc(C#N)cc1 ZINC000043546136 821424096 /nfs/dbraw/zinc/42/40/96/821424096.db2.gz NMAMRGGBMVEXPM-CABCVRRESA-N 1 2 383.521 4.129 20 30 GIEDLO C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1ccc(C#N)cc1 ZINC000043546136 821424100 /nfs/dbraw/zinc/42/41/00/821424100.db2.gz NMAMRGGBMVEXPM-CABCVRRESA-N 1 2 383.521 4.129 20 30 GIEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1C(F)(F)F ZINC000043643627 821435178 /nfs/dbraw/zinc/43/51/78/821435178.db2.gz GVAGIZKMDRBTKD-UHFFFAOYSA-N 1 2 393.434 4.392 20 30 GIEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1C(F)(F)F ZINC000043643627 821435183 /nfs/dbraw/zinc/43/51/83/821435183.db2.gz GVAGIZKMDRBTKD-UHFFFAOYSA-N 1 2 393.434 4.392 20 30 GIEDLO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568880 821610944 /nfs/dbraw/zinc/61/09/44/821610944.db2.gz MIMMLWMZBNMGLG-INIZCTEOSA-N 1 2 386.455 4.164 20 30 GIEDLO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000181701076 821949875 /nfs/dbraw/zinc/94/98/75/821949875.db2.gz UDDMVYBXXOCYOD-IBGZPJMESA-N 1 2 376.460 4.494 20 30 GIEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc2c(cc1Br)OCCO2 ZINC000178783218 822409389 /nfs/dbraw/zinc/40/93/89/822409389.db2.gz SBEYONGSMCLBHH-NSHDSACASA-N 1 2 391.240 4.082 20 30 GIEDLO C[N@@H+]1CCc2nc(NC(=O)c3ccccc3Oc3ccccc3C#N)sc2C1 ZINC000183488898 822484403 /nfs/dbraw/zinc/48/44/03/822484403.db2.gz LJEAKVLIYAZDHD-UHFFFAOYSA-N 1 2 390.468 4.047 20 30 GIEDLO C[N@H+]1CCc2nc(NC(=O)c3ccccc3Oc3ccccc3C#N)sc2C1 ZINC000183488898 822484405 /nfs/dbraw/zinc/48/44/05/822484405.db2.gz LJEAKVLIYAZDHD-UHFFFAOYSA-N 1 2 390.468 4.047 20 30 GIEDLO CC(C)COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000184162063 822588543 /nfs/dbraw/zinc/58/85/43/822588543.db2.gz NIDXBBMXIMRVKA-KSSFIOAISA-N 1 2 389.883 4.135 20 30 GIEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C2CC2)o1 ZINC000048055583 822627604 /nfs/dbraw/zinc/62/76/04/822627604.db2.gz RWPKLMCYOLRDLU-UTKZUKDTSA-N 1 2 377.488 4.314 20 30 GIEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C2CC2)o1 ZINC000048055583 822627607 /nfs/dbraw/zinc/62/76/07/822627607.db2.gz RWPKLMCYOLRDLU-UTKZUKDTSA-N 1 2 377.488 4.314 20 30 GIEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180488812 822690211 /nfs/dbraw/zinc/69/02/11/822690211.db2.gz GMQHODYHDAPUGD-CYBMUJFWSA-N 1 2 393.384 4.010 20 30 GIEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180488812 822690215 /nfs/dbraw/zinc/69/02/15/822690215.db2.gz GMQHODYHDAPUGD-CYBMUJFWSA-N 1 2 393.384 4.010 20 30 GIEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(CC#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000455903072 822745574 /nfs/dbraw/zinc/74/55/74/822745574.db2.gz IFBMGPYOKDMFKT-RBUKOAKNSA-N 1 2 386.858 4.112 20 30 GIEDLO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(CC#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000455903072 822745576 /nfs/dbraw/zinc/74/55/76/822745576.db2.gz IFBMGPYOKDMFKT-RBUKOAKNSA-N 1 2 386.858 4.112 20 30 GIEDLO C=CCc1cc(C[NH2+][C@H](C)c2nc(-c3cccc(OC)c3)no2)cc(OC)c1O ZINC000174655261 822818569 /nfs/dbraw/zinc/81/85/69/822818569.db2.gz YVXXVSIQXUUONR-CQSZACIVSA-N 1 2 395.459 4.039 20 30 GIEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000054183583 822866695 /nfs/dbraw/zinc/86/66/95/822866695.db2.gz DRXOVHRPJNTFAS-NSHDSACASA-N 1 2 376.092 4.002 20 30 GIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000175126198 822887883 /nfs/dbraw/zinc/88/78/83/822887883.db2.gz ZTORNMSXTYZAEK-FXAWDEMLSA-N 1 2 396.560 4.443 20 30 GIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000175126198 822887890 /nfs/dbraw/zinc/88/78/90/822887890.db2.gz ZTORNMSXTYZAEK-FXAWDEMLSA-N 1 2 396.560 4.443 20 30 GIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000569358118 822911128 /nfs/dbraw/zinc/91/11/28/822911128.db2.gz IDLYMHAJRAGDTE-HKUYNNGSSA-N 1 2 395.528 4.173 20 30 GIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000569358118 822911132 /nfs/dbraw/zinc/91/11/32/822911132.db2.gz IDLYMHAJRAGDTE-HKUYNNGSSA-N 1 2 395.528 4.173 20 30 GIEDLO Cc1ccc(C)c(OC2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000064632032 823855137 /nfs/dbraw/zinc/85/51/37/823855137.db2.gz RQHXFNYXVUDIPF-GOSISDBHSA-N 1 2 377.488 4.046 20 30 GIEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000462365011 823942609 /nfs/dbraw/zinc/94/26/09/823942609.db2.gz KKEXVULGOJFKPM-INIZCTEOSA-N 1 2 383.517 4.028 20 30 GIEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000462365011 823942616 /nfs/dbraw/zinc/94/26/16/823942616.db2.gz KKEXVULGOJFKPM-INIZCTEOSA-N 1 2 383.517 4.028 20 30 GIEDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C#N)cc1C(F)(F)F ZINC000576037554 824055323 /nfs/dbraw/zinc/05/53/23/824055323.db2.gz LOOVEOGQNXKAGG-UHFFFAOYSA-N 1 2 397.347 4.316 20 30 GIEDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C#N)cc1C(F)(F)F ZINC000576037554 824055332 /nfs/dbraw/zinc/05/53/32/824055332.db2.gz LOOVEOGQNXKAGG-UHFFFAOYSA-N 1 2 397.347 4.316 20 30 GIEDLO C=C(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)c(F)c1 ZINC000187372069 823051539 /nfs/dbraw/zinc/05/15/39/823051539.db2.gz GODPCYCQKUZOGD-SFHVURJKSA-N 1 2 376.359 4.147 20 30 GIEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000459464915 823197849 /nfs/dbraw/zinc/19/78/49/823197849.db2.gz MTNYSBPDKWDUBK-QMTHXVAHSA-N 1 2 395.315 4.337 20 30 GIEDLO C=CC[N@H+](Cc1csc(-c2ccoc2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000571708345 823222405 /nfs/dbraw/zinc/22/24/05/823222405.db2.gz CQOMJSJXZBHALW-OAHLLOKOSA-N 1 2 392.488 4.128 20 30 GIEDLO C=CC[N@@H+](Cc1csc(-c2ccoc2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000571708345 823222408 /nfs/dbraw/zinc/22/24/08/823222408.db2.gz CQOMJSJXZBHALW-OAHLLOKOSA-N 1 2 392.488 4.128 20 30 GIEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000121904543 823273824 /nfs/dbraw/zinc/27/38/24/823273824.db2.gz LSIQTYGNMVIMKS-OPAMFIHVSA-N 1 2 399.922 4.036 20 30 GIEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)c(OC)c1 ZINC000007719582 817902524 /nfs/dbraw/zinc/90/25/24/817902524.db2.gz COIGZOCBFFNEOS-LJQANCHMSA-N 1 2 399.878 4.004 20 30 GIEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)c(OC)c1 ZINC000007719582 817902533 /nfs/dbraw/zinc/90/25/33/817902533.db2.gz COIGZOCBFFNEOS-LJQANCHMSA-N 1 2 399.878 4.004 20 30 GIEDLO CCCCn1c(SCc2cc(F)ccc2C#N)nnc1[C@H](CC)[NH+](C)C ZINC000122344123 823341170 /nfs/dbraw/zinc/34/11/70/823341170.db2.gz WHHUQBWWJAEFND-KRWDZBQOSA-N 1 2 375.517 4.394 20 30 GIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCSc3ccccc3Cl)CC2)cc1 ZINC000017843459 818530853 /nfs/dbraw/zinc/53/08/53/818530853.db2.gz IFEGUTIWKPVWQB-UHFFFAOYSA-N 1 2 399.947 4.038 20 30 GIEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(SCC#N)c3)n2)C1 ZINC000177018573 823350374 /nfs/dbraw/zinc/35/03/74/823350374.db2.gz GNVXVQLEQGOXRB-AWEZNQCLSA-N 1 2 386.546 4.243 20 30 GIEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(SCC#N)c3)n2)C1 ZINC000177018573 823350383 /nfs/dbraw/zinc/35/03/83/823350383.db2.gz GNVXVQLEQGOXRB-AWEZNQCLSA-N 1 2 386.546 4.243 20 30 GIEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@@H]2Cc2ccccc2OC)c1=S ZINC000058540078 823406540 /nfs/dbraw/zinc/40/65/40/823406540.db2.gz YSBDJBSSDFTQOS-GOSISDBHSA-N 1 2 384.549 4.151 20 30 GIEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@@H]2Cc2ccccc2OC)c1=S ZINC000058540078 823406541 /nfs/dbraw/zinc/40/65/41/823406541.db2.gz YSBDJBSSDFTQOS-GOSISDBHSA-N 1 2 384.549 4.151 20 30 GIEDLO CC(C)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000177384666 823450574 /nfs/dbraw/zinc/45/05/74/823450574.db2.gz FUNCMWKITGNIOQ-ZWKOTPCHSA-N 1 2 389.565 4.156 20 30 GIEDLO CC(C)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000177384666 823450576 /nfs/dbraw/zinc/45/05/76/823450576.db2.gz FUNCMWKITGNIOQ-ZWKOTPCHSA-N 1 2 389.565 4.156 20 30 GIEDLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026325399 820084485 /nfs/dbraw/zinc/08/44/85/820084485.db2.gz VYJYVEDWTUKVNZ-KBPBESRZSA-N 1 2 392.528 4.174 20 30 GIEDLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026325399 820084495 /nfs/dbraw/zinc/08/44/95/820084495.db2.gz VYJYVEDWTUKVNZ-KBPBESRZSA-N 1 2 392.528 4.174 20 30 GIEDLO N#Cc1c(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)cn2ccccc12 ZINC000058933033 823471940 /nfs/dbraw/zinc/47/19/40/823471940.db2.gz VUWFJCUVESNKNS-UHFFFAOYSA-N 1 2 378.907 4.172 20 30 GIEDLO N#Cc1c(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)cn2ccccc12 ZINC000058933033 823471943 /nfs/dbraw/zinc/47/19/43/823471943.db2.gz VUWFJCUVESNKNS-UHFFFAOYSA-N 1 2 378.907 4.172 20 30 GIEDLO C=CC[N@@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)Cc1ccccc1 ZINC000028986972 820380023 /nfs/dbraw/zinc/38/00/23/820380023.db2.gz UWTQAJDAAJQFFV-UHFFFAOYSA-N 1 2 394.906 4.212 20 30 GIEDLO C=CC[N@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)Cc1ccccc1 ZINC000028986972 820380033 /nfs/dbraw/zinc/38/00/33/820380033.db2.gz UWTQAJDAAJQFFV-UHFFFAOYSA-N 1 2 394.906 4.212 20 30 GIEDLO N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000410408241 823489327 /nfs/dbraw/zinc/48/93/27/823489327.db2.gz RPJJXQBECQYTPM-UHFFFAOYSA-N 1 2 398.388 4.008 20 30 GIEDLO COc1ccc(C[NH2+]Cc2nc(C(F)(F)F)cs2)cc1OCCCC#N ZINC000123359960 823501275 /nfs/dbraw/zinc/50/12/75/823501275.db2.gz VEUBBYYIKYDNPN-UHFFFAOYSA-N 1 2 385.411 4.143 20 30 GIEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(C#N)c1C ZINC000042132511 821272349 /nfs/dbraw/zinc/27/23/49/821272349.db2.gz UBHJWCYJKGMSDQ-HOCLYGCPSA-N 1 2 392.459 4.116 20 30 GIEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(C#N)c1C ZINC000042132511 821272359 /nfs/dbraw/zinc/27/23/59/821272359.db2.gz UBHJWCYJKGMSDQ-HOCLYGCPSA-N 1 2 392.459 4.116 20 30 GIEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1C ZINC000178998171 822427946 /nfs/dbraw/zinc/42/79/46/822427946.db2.gz PQKRZOZYMNBOGI-UHFFFAOYSA-N 1 2 382.464 4.030 20 30 GIEDLO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046528720 822481719 /nfs/dbraw/zinc/48/17/19/822481719.db2.gz TXUBLBPRORHVPZ-HSZRJFAPSA-N 1 2 385.467 4.379 20 30 GIEDLO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046528720 822481721 /nfs/dbraw/zinc/48/17/21/822481721.db2.gz TXUBLBPRORHVPZ-HSZRJFAPSA-N 1 2 385.467 4.379 20 30 GIEDLO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1OC(F)F ZINC000179715050 822533436 /nfs/dbraw/zinc/53/34/36/822533436.db2.gz LRUOJQOCUIZQMV-MRXNPFEDSA-N 1 2 384.386 4.451 20 30 GIEDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)s1 ZINC000183951193 822552816 /nfs/dbraw/zinc/55/28/16/822552816.db2.gz PHFUPOFZIPUCLV-ZDUSSCGKSA-N 1 2 388.562 4.167 20 30 GIEDLO CC(C)[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1nc(C2CC2)no1 ZINC000179804313 822556223 /nfs/dbraw/zinc/55/62/23/822556223.db2.gz MXQMITOHLOLFMD-MRXNPFEDSA-N 1 2 379.382 4.184 20 30 GIEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)cs1 ZINC000184689740 822677218 /nfs/dbraw/zinc/67/72/18/822677218.db2.gz DUHGZBDJBYVPNT-ZIAGYGMSSA-N 1 2 388.562 4.389 20 30 GIEDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)cs1 ZINC000184710061 822680368 /nfs/dbraw/zinc/68/03/68/822680368.db2.gz AFSICXXQYJNHGV-KGLIPLIRSA-N 1 2 388.562 4.247 20 30 GIEDLO N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)c2)cc1 ZINC000180469027 822687614 /nfs/dbraw/zinc/68/76/14/822687614.db2.gz KDVPOVJVZMZGHB-LJQANCHMSA-N 1 2 387.443 4.244 20 30 GIEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180564069 822703349 /nfs/dbraw/zinc/70/33/49/822703349.db2.gz MWISJMVFCNHSLP-UXHICEINSA-N 1 2 397.881 4.209 20 30 GIEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180564069 822703351 /nfs/dbraw/zinc/70/33/51/822703351.db2.gz MWISJMVFCNHSLP-UXHICEINSA-N 1 2 397.881 4.209 20 30 GIEDLO COc1ccc(C[NH2+][C@H](c2nc3ccccc3n2C)c2ccccc2)cc1C#N ZINC000174331905 822772537 /nfs/dbraw/zinc/77/25/37/822772537.db2.gz KKUAHVNRRQZXJH-QHCPKHFHSA-N 1 2 382.467 4.333 20 30 GIEDLO Cc1ccc([C@@H]([NH2+]Cc2ccc(C#N)o2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000174574319 822806907 /nfs/dbraw/zinc/80/69/07/822806907.db2.gz DVTGYJDWGXHBDD-QFIPXVFZSA-N 1 2 394.496 4.051 20 30 GIEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2nc(-c3cccc(OC)c3)no2)cc1OC ZINC000174659261 822819731 /nfs/dbraw/zinc/81/97/31/822819731.db2.gz OONRPCHXNBAVHM-OAHLLOKOSA-N 1 2 395.459 4.169 20 30 GIEDLO COc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1OCCCC#N ZINC000185877585 822829441 /nfs/dbraw/zinc/82/94/41/822829441.db2.gz AQYRKYDCBJLYOX-UHFFFAOYSA-N 1 2 388.471 4.125 20 30 GIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000053399648 822832951 /nfs/dbraw/zinc/83/29/51/822832951.db2.gz NDHCXOMLPOPBAX-MRXNPFEDSA-N 1 2 379.909 4.032 20 30 GIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000053399648 822832953 /nfs/dbraw/zinc/83/29/53/822832953.db2.gz NDHCXOMLPOPBAX-MRXNPFEDSA-N 1 2 379.909 4.032 20 30 GIEDLO CC(C)[N@@H+](Cc1ncc(I)s1)Cc1ccc(C#N)cc1 ZINC000569036513 822871808 /nfs/dbraw/zinc/87/18/08/822871808.db2.gz GNOBLYGZDPPWHK-UHFFFAOYSA-N 1 2 397.285 4.030 20 30 GIEDLO CC(C)[N@H+](Cc1ncc(I)s1)Cc1ccc(C#N)cc1 ZINC000569036513 822871807 /nfs/dbraw/zinc/87/18/07/822871807.db2.gz GNOBLYGZDPPWHK-UHFFFAOYSA-N 1 2 397.285 4.030 20 30 GIEDLO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186293188 822872208 /nfs/dbraw/zinc/87/22/08/822872208.db2.gz VFAMKUGGDFQSPH-HOTGVXAUSA-N 1 2 393.516 4.110 20 30 GIEDLO C[C@H](c1nnc(S[C@@H](C#N)c2ccccc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000569709364 822957509 /nfs/dbraw/zinc/95/75/09/822957509.db2.gz CLDXWTCALIUMBS-KDOFPFPSSA-N 1 2 381.480 4.386 20 30 GIEDLO C=C(Br)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000124858627 823631741 /nfs/dbraw/zinc/63/17/41/823631741.db2.gz LISPTMFKLRXUQB-NSHDSACASA-N 1 2 385.306 4.030 20 30 GIEDLO C[C@H](c1nnc(SCc2ccc(C#N)c(F)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000191454925 823687010 /nfs/dbraw/zinc/68/70/10/823687010.db2.gz CBAZZMIVCMGYBF-CYBMUJFWSA-N 1 2 399.470 4.332 20 30 GIEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000414104308 823910836 /nfs/dbraw/zinc/91/08/36/823910836.db2.gz YQDMJZZJHJWQBC-LJQANCHMSA-N 1 2 392.528 4.042 20 30 GIEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000414104308 823910842 /nfs/dbraw/zinc/91/08/42/823910842.db2.gz YQDMJZZJHJWQBC-LJQANCHMSA-N 1 2 392.528 4.042 20 30 GIEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(-c2nc(-c3ccccc3)cs2)cc1 ZINC000414146723 823918980 /nfs/dbraw/zinc/91/89/80/823918980.db2.gz QUDGIHZCHRRPFD-LJQANCHMSA-N 1 2 393.512 4.062 20 30 GIEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(-c2nc(-c3ccccc3)cs2)cc1 ZINC000414146723 823918991 /nfs/dbraw/zinc/91/89/91/823918991.db2.gz QUDGIHZCHRRPFD-LJQANCHMSA-N 1 2 393.512 4.062 20 30 GIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1C ZINC000170987758 824028794 /nfs/dbraw/zinc/02/87/94/824028794.db2.gz ZNKMZKMIKXFKNF-DLBZAZTESA-N 1 2 379.529 4.496 20 30 GIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1C ZINC000170987758 824028798 /nfs/dbraw/zinc/02/87/98/824028798.db2.gz ZNKMZKMIKXFKNF-DLBZAZTESA-N 1 2 379.529 4.496 20 30 GIEDLO C=CC[NH+]1CCN(C(F)(F)c2cnc(Cl)c(-c3ccc(C#N)cc3)c2)CC1 ZINC001165034922 721874063 /nfs/dbraw/zinc/87/40/63/721874063.db2.gz QGNIYRCXLUJBSQ-UHFFFAOYSA-N 1 2 388.849 4.127 20 30 GIEDLO C=CCN(Cc1ccccc1F)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000056562668 823170640 /nfs/dbraw/zinc/17/06/40/823170640.db2.gz WSLWHRXYAHVAMP-UHFFFAOYSA-N 1 2 388.512 4.488 20 30 GIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000459407099 823186163 /nfs/dbraw/zinc/18/61/63/823186163.db2.gz VKUQMUWYHQJHTN-KRWDZBQOSA-N 1 2 394.479 4.012 20 30 GIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000459407099 823186164 /nfs/dbraw/zinc/18/61/64/823186164.db2.gz VKUQMUWYHQJHTN-KRWDZBQOSA-N 1 2 394.479 4.012 20 30 GIEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)cc2)cc1 ZINC000176349007 823189013 /nfs/dbraw/zinc/18/90/13/823189013.db2.gz FATJAVHMRMSKKW-LJQANCHMSA-N 1 2 387.443 4.244 20 30 GIEDLO N#Cc1cc(Br)ccc1CN1CCC(CCCn2cc[nH+]c2)CC1 ZINC000571590836 823204653 /nfs/dbraw/zinc/20/46/53/823204653.db2.gz CAJUPCACABNSSQ-UHFFFAOYSA-N 1 2 387.325 4.210 20 30 GIEDLO COc1cc2cc[nH+]c(N3CCC(Oc4ccc(C#N)cc4F)CC3)c2cc1F ZINC000571954119 823259778 /nfs/dbraw/zinc/25/97/78/823259778.db2.gz YYKUUEWDQCFBOP-UHFFFAOYSA-N 1 2 395.409 4.441 20 30 GIEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)s1 ZINC000122196412 823320193 /nfs/dbraw/zinc/32/01/93/823320193.db2.gz TWIOSHWXEZHKGW-LBPRGKRZSA-N 1 2 376.913 4.171 20 30 GIEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)s1 ZINC000122196412 823320201 /nfs/dbraw/zinc/32/02/01/823320201.db2.gz TWIOSHWXEZHKGW-LBPRGKRZSA-N 1 2 376.913 4.171 20 30 GIEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cn1c(Cc2cccs2)n[nH]c1=S ZINC000058206055 823368546 /nfs/dbraw/zinc/36/85/46/823368546.db2.gz QNVLXZJEQKKLOD-UHFFFAOYSA-N 1 2 386.546 4.247 20 30 GIEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cn1c(Cc2cccs2)n[nH]c1=S ZINC000058206055 823368548 /nfs/dbraw/zinc/36/85/48/823368548.db2.gz QNVLXZJEQKKLOD-UHFFFAOYSA-N 1 2 386.546 4.247 20 30 GIEDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(C#Cc2ccccc2)cc1 ZINC000024750316 819872657 /nfs/dbraw/zinc/87/26/57/819872657.db2.gz UWXMFLLRISLNQG-UHFFFAOYSA-N 1 2 391.474 4.261 20 30 GIEDLO N#Cc1csc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)n1 ZINC000573023460 823434976 /nfs/dbraw/zinc/43/49/76/823434976.db2.gz QCFSVTUNYWHHHE-UHFFFAOYSA-N 1 2 385.496 4.216 20 30 GIEDLO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c(C)c1 ZINC000026640118 820126212 /nfs/dbraw/zinc/12/62/12/820126212.db2.gz JOTWWJZZNOZXDO-GOSISDBHSA-N 1 2 389.499 4.097 20 30 GIEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccc(OC)cc1 ZINC000059423148 823496211 /nfs/dbraw/zinc/49/62/11/823496211.db2.gz FUUJZJQZQMLQDF-UHFFFAOYSA-N 1 2 394.393 4.221 20 30 GIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccc(OC)cc1 ZINC000059423148 823496215 /nfs/dbraw/zinc/49/62/15/823496215.db2.gz FUUJZJQZQMLQDF-UHFFFAOYSA-N 1 2 394.393 4.221 20 30 GIEDLO C=CCn1c(Cc2ccccc2)nnc1SCc1cn2cc(C)ccc2[nH+]1 ZINC000032785303 821007894 /nfs/dbraw/zinc/00/78/94/821007894.db2.gz KFYCGMBQGVINPX-UHFFFAOYSA-N 1 2 375.501 4.303 20 30 GIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000411004556 823531809 /nfs/dbraw/zinc/53/18/09/823531809.db2.gz CWRDDPWLMIRINH-UHFFFAOYSA-N 1 2 388.443 4.492 20 30 GIEDLO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1Cl ZINC000042899088 821343469 /nfs/dbraw/zinc/34/34/69/821343469.db2.gz HLIRREMWOIHAMT-IBGZPJMESA-N 1 2 393.878 4.404 20 30 GIEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568883 821611180 /nfs/dbraw/zinc/61/11/80/821611180.db2.gz MIMMLWMZBNMGLG-MRXNPFEDSA-N 1 2 386.455 4.164 20 30 GIEDLO N#Cc1ccc2nc(N3CCc4c([nH+]cn4CCc4ccccc4)C3)ccc2c1 ZINC000182019415 822064801 /nfs/dbraw/zinc/06/48/01/822064801.db2.gz LTSROSILTHCNPX-UHFFFAOYSA-N 1 2 379.467 4.108 20 30 GIEDLO C[C@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1 ZINC000047052438 822540821 /nfs/dbraw/zinc/54/08/21/822540821.db2.gz MZGZJGMGSVFVMB-KURKYZTESA-N 1 2 392.503 4.050 20 30 GIEDLO CC(C)[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1nc(C2CC2)no1 ZINC000179804299 822556217 /nfs/dbraw/zinc/55/62/17/822556217.db2.gz MXQMITOHLOLFMD-INIZCTEOSA-N 1 2 379.382 4.184 20 30 GIEDLO COc1ccc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1OCCCC#N ZINC000179849846 822566055 /nfs/dbraw/zinc/56/60/55/822566055.db2.gz CBCQRVYTJQHIDF-UHFFFAOYSA-N 1 2 375.472 4.417 20 30 GIEDLO COc1ccc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1OCCCC#N ZINC000179849846 822566057 /nfs/dbraw/zinc/56/60/57/822566057.db2.gz CBCQRVYTJQHIDF-UHFFFAOYSA-N 1 2 375.472 4.417 20 30 GIEDLO C[C@@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000179876506 822569805 /nfs/dbraw/zinc/56/98/05/822569805.db2.gz LIOHQRYKGQRFRV-WZONZLPQSA-N 1 2 399.498 4.214 20 30 GIEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000180319336 822662748 /nfs/dbraw/zinc/66/27/48/822662748.db2.gz ZAGOLAUDWRDIIT-BLGFXRMMSA-N 1 2 380.419 4.317 20 30 GIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455765531 822722270 /nfs/dbraw/zinc/72/22/70/822722270.db2.gz HBFBOPXXOPPBIU-UHFFFAOYSA-N 1 2 397.523 4.439 20 30 GIEDLO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 ZINC000185238990 822753171 /nfs/dbraw/zinc/75/31/71/822753171.db2.gz GTLRGWJFJNGLJB-HNNXBMFYSA-N 1 2 390.491 4.240 20 30 GIEDLO CCOc1c(Br)cc(Br)cc1C[NH2+][C@H](CC)CC#N ZINC000054183634 822866691 /nfs/dbraw/zinc/86/66/91/822866691.db2.gz LIYMAMYYMXSQQG-GFCCVEGCSA-N 1 2 390.119 4.392 20 30 GIEDLO CCC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)Cc1ccc(C#N)cc1 ZINC000186275877 822868779 /nfs/dbraw/zinc/86/87/79/822868779.db2.gz FIANWVQTBNHLHN-UHFFFAOYSA-N 1 2 379.895 4.419 20 30 GIEDLO CCC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)Cc1ccc(C#N)cc1 ZINC000186275877 822868783 /nfs/dbraw/zinc/86/87/83/822868783.db2.gz FIANWVQTBNHLHN-UHFFFAOYSA-N 1 2 379.895 4.419 20 30 GIEDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000569044636 822872892 /nfs/dbraw/zinc/87/28/92/822872892.db2.gz JHAQKGYEQHNOPH-UHFFFAOYSA-N 1 2 381.785 4.301 20 30 GIEDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000569044636 822872894 /nfs/dbraw/zinc/87/28/94/822872894.db2.gz JHAQKGYEQHNOPH-UHFFFAOYSA-N 1 2 381.785 4.301 20 30 GIEDLO CC[N@H+](Cc1nc(COc2ccc(F)cc2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340409 822877114 /nfs/dbraw/zinc/87/71/14/822877114.db2.gz YMRSMSMGWQGAIN-HNNXBMFYSA-N 1 2 380.423 4.242 20 30 GIEDLO CC[N@@H+](Cc1nc(COc2ccc(F)cc2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340409 822877118 /nfs/dbraw/zinc/87/71/18/822877118.db2.gz YMRSMSMGWQGAIN-HNNXBMFYSA-N 1 2 380.423 4.242 20 30 GIEDLO N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000055696126 823000036 /nfs/dbraw/zinc/00/00/36/823000036.db2.gz OINMODQRYSEIQH-UHFFFAOYSA-N 1 2 378.435 4.341 20 30 GIEDLO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000187202463 823024470 /nfs/dbraw/zinc/02/44/70/823024470.db2.gz MUAAJSRNGQIQIP-UHFFFAOYSA-N 1 2 383.879 4.071 20 30 GIEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000570348689 823027585 /nfs/dbraw/zinc/02/75/85/823027585.db2.gz UDBQKUZIZDRLBT-UHFFFAOYSA-N 1 2 384.483 4.283 20 30 GIEDLO N#Cc1ccc(OC2CC[NH+](Cc3cnc4ccc(Cl)cn34)CC2)c(F)c1 ZINC000570437210 823038224 /nfs/dbraw/zinc/03/82/24/823038224.db2.gz NMDVZRAOXBLMBH-UHFFFAOYSA-N 1 2 384.842 4.042 20 30 GIEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411498502 823581635 /nfs/dbraw/zinc/58/16/35/823581635.db2.gz QAQGJZKANABSIK-KRWDZBQOSA-N 1 2 398.473 4.300 20 30 GIEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411498502 823581636 /nfs/dbraw/zinc/58/16/36/823581636.db2.gz QAQGJZKANABSIK-KRWDZBQOSA-N 1 2 398.473 4.300 20 30 GIEDLO C=CC[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(Cl)s1 ZINC000063285732 823659820 /nfs/dbraw/zinc/65/98/20/823659820.db2.gz HGEPIZUCJQVRBE-UHFFFAOYSA-N 1 2 399.965 4.262 20 30 GIEDLO C=CC[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(Cl)s1 ZINC000063285732 823659822 /nfs/dbraw/zinc/65/98/22/823659822.db2.gz HGEPIZUCJQVRBE-UHFFFAOYSA-N 1 2 399.965 4.262 20 30 GIEDLO N#CCCCCN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000163472499 823713092 /nfs/dbraw/zinc/71/30/92/823713092.db2.gz KUTJAGSLPUBGSA-UHFFFAOYSA-N 1 2 377.532 4.104 20 30 GIEDLO N#C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000461963669 823774251 /nfs/dbraw/zinc/77/42/51/823774251.db2.gz IFHTUIPCYCWOFR-NZQKXSOJSA-N 1 2 399.498 4.090 20 30 GIEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000462037939 823806608 /nfs/dbraw/zinc/80/66/08/823806608.db2.gz JKWGPBQBPMFPSX-QFIPXVFZSA-N 1 2 398.466 4.267 20 30 GIEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000462037939 823806614 /nfs/dbraw/zinc/80/66/14/823806614.db2.gz JKWGPBQBPMFPSX-QFIPXVFZSA-N 1 2 398.466 4.267 20 30 GIEDLO Cc1cc([C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2ccccc2Cl)ccc1F ZINC000462175887 823854813 /nfs/dbraw/zinc/85/48/13/823854813.db2.gz LBSLPVLBJYKNSX-FGZHOGPDSA-N 1 2 399.897 4.275 20 30 GIEDLO CC(C)COC1CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000170984962 824027741 /nfs/dbraw/zinc/02/77/41/824027741.db2.gz WQTRLVBTSOPNRD-QGZVFWFLSA-N 1 2 389.565 4.014 20 30 GIEDLO N#CCCC[C@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000458807289 823089457 /nfs/dbraw/zinc/08/94/57/823089457.db2.gz XNJDBBNIIDIZAO-FQEVSTJZSA-N 1 2 382.533 4.010 20 30 GIEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000571213225 823149795 /nfs/dbraw/zinc/14/97/95/823149795.db2.gz GXECOLNOXDBIJK-UHFFFAOYSA-N 1 2 386.499 4.030 20 30 GIEDLO N#Cc1cccc(OC2CC[NH+](Cc3cccc(O)c3Br)CC2)c1 ZINC000459332369 823162904 /nfs/dbraw/zinc/16/29/04/823162904.db2.gz WEPQIYKZHGHXMS-UHFFFAOYSA-N 1 2 387.277 4.070 20 30 GIEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571351246 823169601 /nfs/dbraw/zinc/16/96/01/823169601.db2.gz MSFSBRVSONWDCM-OALUTQOASA-N 1 2 389.833 4.055 20 30 GIEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571351246 823169604 /nfs/dbraw/zinc/16/96/04/823169604.db2.gz MSFSBRVSONWDCM-OALUTQOASA-N 1 2 389.833 4.055 20 30 GIEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000022060439 818767726 /nfs/dbraw/zinc/76/77/26/818767726.db2.gz MBIZQITXOCISOO-UHFFFAOYSA-N 1 2 376.287 4.372 20 30 GIEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000022060439 818767735 /nfs/dbraw/zinc/76/77/35/818767735.db2.gz MBIZQITXOCISOO-UHFFFAOYSA-N 1 2 376.287 4.372 20 30 GIEDLO COCC[N@H+](Cc1csc(-c2ccc(F)cc2)n1)Cc1ccc(C#N)cc1 ZINC000058397846 823385807 /nfs/dbraw/zinc/38/58/07/823385807.db2.gz CYTPRMRGFUPUPW-UHFFFAOYSA-N 1 2 381.476 4.469 20 30 GIEDLO COCC[N@@H+](Cc1csc(-c2ccc(F)cc2)n1)Cc1ccc(C#N)cc1 ZINC000058397846 823385814 /nfs/dbraw/zinc/38/58/14/823385814.db2.gz CYTPRMRGFUPUPW-UHFFFAOYSA-N 1 2 381.476 4.469 20 30 GIEDLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000026326208 820084227 /nfs/dbraw/zinc/08/42/27/820084227.db2.gz POYNJNVALDROQO-UHFFFAOYSA-N 1 2 385.427 4.204 20 30 GIEDLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+](C)Cc2cccc(C#N)c2)o1 ZINC000026326208 820084234 /nfs/dbraw/zinc/08/42/34/820084234.db2.gz POYNJNVALDROQO-UHFFFAOYSA-N 1 2 385.427 4.204 20 30 GIEDLO COc1ccc(-c2nc(C[N@H+](C)Cc3cccc(C#N)c3)cs2)cc1OC ZINC000026325712 820084432 /nfs/dbraw/zinc/08/44/32/820084432.db2.gz KTXODBVGARFUTC-UHFFFAOYSA-N 1 2 379.485 4.331 20 30 GIEDLO COc1ccc(-c2nc(C[N@@H+](C)Cc3cccc(C#N)c3)cs2)cc1OC ZINC000026325712 820084441 /nfs/dbraw/zinc/08/44/41/820084441.db2.gz KTXODBVGARFUTC-UHFFFAOYSA-N 1 2 379.485 4.331 20 30 GIEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000027104217 820194478 /nfs/dbraw/zinc/19/44/78/820194478.db2.gz WIXIKTSCDGBOAK-CQSZACIVSA-N 1 2 382.851 4.343 20 30 GIEDLO C=CCOc1ccc(/C=C/C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000029277511 820426441 /nfs/dbraw/zinc/42/64/41/820426441.db2.gz LRASZUHRNMVWJC-VZUCSPMQSA-N 1 2 375.428 4.098 20 30 GIEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(OCC2CC2)c(F)c1 ZINC000181573691 821884905 /nfs/dbraw/zinc/88/49/05/821884905.db2.gz LQPXEZIFYDZCGI-CQSZACIVSA-N 1 2 392.434 4.387 20 30 GIEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CCC[C@@H]2c2ccccc2C)c1=S ZINC000177983096 822268582 /nfs/dbraw/zinc/26/85/82/822268582.db2.gz VUBYCIPUSGUIGN-LJQANCHMSA-N 1 2 392.532 4.160 20 30 GIEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CCC[C@@H]2c2ccccc2C)c1=S ZINC000177983096 822268589 /nfs/dbraw/zinc/26/85/89/822268589.db2.gz VUBYCIPUSGUIGN-LJQANCHMSA-N 1 2 392.532 4.160 20 30 GIEDLO N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178373503 822372592 /nfs/dbraw/zinc/37/25/92/822372592.db2.gz PLTKYSZHFOWUMS-UHFFFAOYSA-N 1 2 384.464 4.287 20 30 GIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000183686365 822511146 /nfs/dbraw/zinc/51/11/46/822511146.db2.gz FMZNITRRGXQDFX-INIZCTEOSA-N 1 2 382.533 4.460 20 30 GIEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179681738 822526286 /nfs/dbraw/zinc/52/62/86/822526286.db2.gz QDLJBAWNESWTFE-MOPGFXCFSA-N 1 2 386.858 4.112 20 30 GIEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179681738 822526288 /nfs/dbraw/zinc/52/62/88/822526288.db2.gz QDLJBAWNESWTFE-MOPGFXCFSA-N 1 2 386.858 4.112 20 30 GIEDLO N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)c(Cl)c1 ZINC000180150411 822627402 /nfs/dbraw/zinc/62/74/02/822627402.db2.gz UZJMMXYHTBRHCR-UHFFFAOYSA-N 1 2 383.860 4.002 20 30 GIEDLO N#Cc1ccsc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000052033646 822788867 /nfs/dbraw/zinc/78/88/67/822788867.db2.gz MIYIIVJGJFGRRI-UHFFFAOYSA-N 1 2 387.508 4.167 20 30 GIEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3scnc3C3CCCC3)CC2)cc1 ZINC000186412435 822890381 /nfs/dbraw/zinc/89/03/81/822890381.db2.gz VRNRJZGSVSHVER-UHFFFAOYSA-N 1 2 394.544 4.020 20 30 GIEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3scnc3C3CCCC3)CC2)cc1 ZINC000186412435 822890387 /nfs/dbraw/zinc/89/03/87/822890387.db2.gz VRNRJZGSVSHVER-UHFFFAOYSA-N 1 2 394.544 4.020 20 30 GIEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000186926741 822981427 /nfs/dbraw/zinc/98/14/27/822981427.db2.gz PRGRPVSIWSDUFZ-UHFFFAOYSA-N 1 2 379.851 4.036 20 30 GIEDLO N#CCCC1CCN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000570449093 823039943 /nfs/dbraw/zinc/03/99/43/823039943.db2.gz KZUIDFCGIBTUKV-UHFFFAOYSA-N 1 2 377.492 4.434 20 30 GIEDLO CCCCn1c(SCc2ccc(C#N)c(F)c2)nnc1[C@H](CC)[NH+](C)C ZINC000190979480 823633698 /nfs/dbraw/zinc/63/36/98/823633698.db2.gz ZKBAAZPUMRHVQQ-KRWDZBQOSA-N 1 2 375.517 4.394 20 30 GIEDLO C=CC[N@@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C)Cc1cccc(C#N)c1 ZINC000063300364 823661107 /nfs/dbraw/zinc/66/11/07/823661107.db2.gz QBDQQCSIHOGZHG-HSZRJFAPSA-N 1 2 379.479 4.199 20 30 GIEDLO C=CC[N@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C)Cc1cccc(C#N)c1 ZINC000063300364 823661110 /nfs/dbraw/zinc/66/11/10/823661110.db2.gz QBDQQCSIHOGZHG-HSZRJFAPSA-N 1 2 379.479 4.199 20 30 GIEDLO COc1ccccc1-c1csc(C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)n1 ZINC000191511847 823693822 /nfs/dbraw/zinc/69/38/22/823693822.db2.gz LPUZNTWXSBTTOE-MRXNPFEDSA-N 1 2 380.517 4.442 20 30 GIEDLO C#CCOc1ccc(Br)cc1C[NH2+]Cc1nc(C(C)C)cs1 ZINC000125682516 823696271 /nfs/dbraw/zinc/69/62/71/823696271.db2.gz PDWINSWCMGTCKL-UHFFFAOYSA-N 1 2 379.323 4.331 20 30 GIEDLO N#Cc1ccc(Br)c(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c1 ZINC000191688988 823734642 /nfs/dbraw/zinc/73/46/42/823734642.db2.gz IFULTNFRJOKKCA-UHFFFAOYSA-N 1 2 381.155 4.133 20 30 GIEDLO Cc1nc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(Cl)cc1C#N ZINC000461933309 823764177 /nfs/dbraw/zinc/76/41/77/823764177.db2.gz DWFRGMUVKJRGSD-ZWKOTPCHSA-N 1 2 391.302 4.052 20 30 GIEDLO Cc1nc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(Cl)cc1C#N ZINC000461933309 823764188 /nfs/dbraw/zinc/76/41/88/823764188.db2.gz DWFRGMUVKJRGSD-ZWKOTPCHSA-N 1 2 391.302 4.052 20 30 GIEDLO N#Cc1ccc(C[N@@H+](CC(=O)NC2CCCCC2)Cc2cccc(F)c2)cc1 ZINC000064620744 823853612 /nfs/dbraw/zinc/85/36/12/823853612.db2.gz MCRLLTROUJOQFD-UHFFFAOYSA-N 1 2 379.479 4.148 20 30 GIEDLO N#Cc1ccc(C[N@H+](CC(=O)NC2CCCCC2)Cc2cccc(F)c2)cc1 ZINC000064620744 823853620 /nfs/dbraw/zinc/85/36/20/823853620.db2.gz MCRLLTROUJOQFD-UHFFFAOYSA-N 1 2 379.479 4.148 20 30 GIEDLO N#Cc1csc(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)n1 ZINC000574924265 823861318 /nfs/dbraw/zinc/86/13/18/823861318.db2.gz ZZLQDYQBMXDBFT-UHFFFAOYSA-N 1 2 376.201 4.086 20 30 GIEDLO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc(C#N)c1 ZINC000462259963 823902953 /nfs/dbraw/zinc/90/29/53/823902953.db2.gz NYINWNWQUQTHMQ-MRFFXTKBSA-N 1 2 385.870 4.016 20 30 GIEDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc(C#N)c1 ZINC000462259963 823902963 /nfs/dbraw/zinc/90/29/63/823902963.db2.gz NYINWNWQUQTHMQ-MRFFXTKBSA-N 1 2 385.870 4.016 20 30 GIEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000126954996 823988541 /nfs/dbraw/zinc/98/85/41/823988541.db2.gz QDFMJQUZMFJGLS-XLIONFOSSA-N 1 2 382.533 4.181 20 30 GIEDLO N#Cc1ccc(SCC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000170869050 823994730 /nfs/dbraw/zinc/99/47/30/823994730.db2.gz BIHFGCZARHOLFF-UHFFFAOYSA-N 1 2 388.496 4.489 20 30 GIEDLO CC(C)(C)c1csc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)n1 ZINC000120861383 823078819 /nfs/dbraw/zinc/07/88/19/823078819.db2.gz VQWSSFZCJIKOAF-UHFFFAOYSA-N 1 2 396.516 4.252 20 30 GIEDLO C=C(C)[C@H]([NH2+]Cc1nc(=O)c2c(C)c(C)sc2[nH]1)c1ccc(F)c(F)c1 ZINC000187768410 823129069 /nfs/dbraw/zinc/12/90/69/823129069.db2.gz IGGUESIKEANSJI-KRWDZBQOSA-N 1 2 375.444 4.287 20 30 GIEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2c2ccccc2)nc1-c1cccnc1 ZINC000014308129 818233445 /nfs/dbraw/zinc/23/34/45/818233445.db2.gz SQNDDMBXKQNWOD-LJQANCHMSA-N 1 2 377.517 4.457 20 30 GIEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]2c2ccccc2)nc1-c1cccnc1 ZINC000014308129 818233453 /nfs/dbraw/zinc/23/34/53/818233453.db2.gz SQNDDMBXKQNWOD-LJQANCHMSA-N 1 2 377.517 4.457 20 30 GIEDLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000014923624 818277018 /nfs/dbraw/zinc/27/70/18/818277018.db2.gz FCZSYEPDUAUZEJ-HNNXBMFYSA-N 1 2 397.544 4.356 20 30 GIEDLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000014923624 818277024 /nfs/dbraw/zinc/27/70/24/818277024.db2.gz FCZSYEPDUAUZEJ-HNNXBMFYSA-N 1 2 397.544 4.356 20 30 GIEDLO CC(C)c1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc2n1 ZINC000015812469 818370754 /nfs/dbraw/zinc/37/07/54/818370754.db2.gz OJDIIBGHOZHRMA-UHFFFAOYSA-N 1 2 398.510 4.188 20 30 GIEDLO C[C@H](c1nnc(SCc2cccc(C#N)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000024968272 819902319 /nfs/dbraw/zinc/90/23/19/819902319.db2.gz PVZUTQHCIAQINE-CQSZACIVSA-N 1 2 381.480 4.193 20 30 GIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccccc1 ZINC000027775299 820285484 /nfs/dbraw/zinc/28/54/84/820285484.db2.gz UHOAKRYUKDLSCF-UHFFFAOYSA-N 1 2 377.257 4.215 20 30 GIEDLO C=CC[N@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccccc1 ZINC000027775299 820285491 /nfs/dbraw/zinc/28/54/91/820285491.db2.gz UHOAKRYUKDLSCF-UHFFFAOYSA-N 1 2 377.257 4.215 20 30 GIEDLO C[C@H](c1nnc(SCc2ccc(C#N)cc2F)n1-c1ccc(F)cc1)[NH+](C)C ZINC000029865748 820535340 /nfs/dbraw/zinc/53/53/40/820535340.db2.gz CVMMBIBWSOTIGY-CYBMUJFWSA-N 1 2 399.470 4.332 20 30 GIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCc3ccccc3C2)c1C#N ZINC000038533432 821097559 /nfs/dbraw/zinc/09/75/59/821097559.db2.gz XYGOAWYUHBHSSZ-UHFFFAOYSA-N 1 2 398.510 4.022 20 30 GIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCc3ccccc3C2)c1C#N ZINC000038533432 821097561 /nfs/dbraw/zinc/09/75/61/821097561.db2.gz XYGOAWYUHBHSSZ-UHFFFAOYSA-N 1 2 398.510 4.022 20 30 GIEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(OC(F)(F)F)cc1 ZINC000182509331 822274476 /nfs/dbraw/zinc/27/44/76/822274476.db2.gz LWBCVVVCOCFZFX-LBPRGKRZSA-N 1 2 388.349 4.358 20 30 GIEDLO N#Cc1ccc(CN2CC[NH+](Cc3cc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000045866137 822420000 /nfs/dbraw/zinc/42/00/00/822420000.db2.gz DMVHUJRPFVTMGR-UHFFFAOYSA-N 1 2 392.890 4.184 20 30 GIEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000045866137 822420002 /nfs/dbraw/zinc/42/00/02/822420002.db2.gz DMVHUJRPFVTMGR-UHFFFAOYSA-N 1 2 392.890 4.184 20 30 GIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184105632 822578952 /nfs/dbraw/zinc/57/89/52/822578952.db2.gz HCHXPSZLFUMPAH-QGZVFWFLSA-N 1 2 395.532 4.220 20 30 GIEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(C4(C#N)CC4)cc3)n2)C1 ZINC000180152717 822627814 /nfs/dbraw/zinc/62/78/14/822627814.db2.gz UQUAVOKFUGKKSX-OAHLLOKOSA-N 1 2 380.517 4.182 20 30 GIEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(C4(C#N)CC4)cc3)n2)C1 ZINC000180152717 822627815 /nfs/dbraw/zinc/62/78/15/822627815.db2.gz UQUAVOKFUGKKSX-OAHLLOKOSA-N 1 2 380.517 4.182 20 30 GIEDLO COc1cccc(NC(=O)/C(=C\c2cccc3[nH+]ccn32)C(=O)c2ccccc2)c1 ZINC000180310067 822661384 /nfs/dbraw/zinc/66/13/84/822661384.db2.gz UVQCRJXMZLPJOB-PGMHBOJBSA-N 1 2 397.434 4.248 20 30 GIEDLO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000180443709 822682978 /nfs/dbraw/zinc/68/29/78/822682978.db2.gz VIARBEMOIFAVAR-LJQANCHMSA-N 1 2 387.443 4.244 20 30 GIEDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ncc(-c2ccccc2)o1 ZINC000184859935 822701927 /nfs/dbraw/zinc/70/19/27/822701927.db2.gz WYSAGASTQZVJCS-VQFNIZELSA-N 1 2 394.519 4.312 20 30 GIEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455740277 822717811 /nfs/dbraw/zinc/71/78/11/822717811.db2.gz XZRQKMVHQZSYAI-CQSZACIVSA-N 1 2 388.924 4.378 20 30 GIEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2nc(-c3ccco3)cs2)cc1F ZINC000051793153 822778518 /nfs/dbraw/zinc/77/85/18/822778518.db2.gz OGOFUXYATLLMOY-UHFFFAOYSA-N 1 2 375.425 4.271 20 30 GIEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2nc(-c3ccco3)cs2)cc1F ZINC000051793153 822778520 /nfs/dbraw/zinc/77/85/20/822778520.db2.gz OGOFUXYATLLMOY-UHFFFAOYSA-N 1 2 375.425 4.271 20 30 GIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2ccccc2F)cc1 ZINC000052073397 822789768 /nfs/dbraw/zinc/78/97/68/822789768.db2.gz IIEINDRAWRPOJE-KRWDZBQOSA-N 1 2 383.467 4.164 20 30 GIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2ccccc2F)cc1 ZINC000052073397 822789771 /nfs/dbraw/zinc/78/97/71/822789771.db2.gz IIEINDRAWRPOJE-KRWDZBQOSA-N 1 2 383.467 4.164 20 30 GIEDLO CC1CC[NH+](Cc2csc(NC(=O)CN3CCc4sccc4C3)n2)CC1 ZINC000052432998 822799424 /nfs/dbraw/zinc/79/94/24/822799424.db2.gz LMYLXXKYCPMODE-UHFFFAOYSA-N 1 2 390.578 4.083 20 30 GIEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1OC ZINC000174669769 822821323 /nfs/dbraw/zinc/82/13/23/822821323.db2.gz FODWJHBJRMNKSC-AWEZNQCLSA-N 1 2 383.423 4.300 20 30 GIEDLO C=C(C)[C@@H](NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccc(F)c(F)c1 ZINC000185846149 822826935 /nfs/dbraw/zinc/82/69/35/822826935.db2.gz OANALIQJZGZKGL-LJQANCHMSA-N 1 2 389.446 4.444 20 30 GIEDLO C=CC[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccc(OC)cc1 ZINC000053611791 822842727 /nfs/dbraw/zinc/84/27/27/822842727.db2.gz ONRUBXCKOYNGHF-UHFFFAOYSA-N 1 2 393.512 4.106 20 30 GIEDLO C=CC[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccc(OC)cc1 ZINC000053611791 822842729 /nfs/dbraw/zinc/84/27/29/822842729.db2.gz ONRUBXCKOYNGHF-UHFFFAOYSA-N 1 2 393.512 4.106 20 30 GIEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000054183584 822866682 /nfs/dbraw/zinc/86/66/82/822866682.db2.gz DRXOVHRPJNTFAS-LLVKDONJSA-N 1 2 376.092 4.002 20 30 GIEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000186283989 822870320 /nfs/dbraw/zinc/87/03/20/822870320.db2.gz RVLDKPNAYWCVLU-MSOLQXFVSA-N 1 2 387.487 4.048 20 30 GIEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(OC)cc1 ZINC000054272113 822872238 /nfs/dbraw/zinc/87/22/38/822872238.db2.gz GNLYJLWVMDFEGU-UHFFFAOYSA-N 1 2 378.394 4.341 20 30 GIEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(OC)cc1 ZINC000054272113 822872242 /nfs/dbraw/zinc/87/22/42/822872242.db2.gz GNLYJLWVMDFEGU-UHFFFAOYSA-N 1 2 378.394 4.341 20 30 GIEDLO C=CCC[C@H](NC(=O)N1CCn2c[nH+]cc2C1)c1ccc(C(F)(F)F)cc1 ZINC000460932904 823545370 /nfs/dbraw/zinc/54/53/70/823545370.db2.gz OKPISNTWKMTCBI-KRWDZBQOSA-N 1 2 378.398 4.135 20 30 GIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1Br)Cc1cccc(C#N)c1 ZINC000063300651 823661053 /nfs/dbraw/zinc/66/10/53/823661053.db2.gz UMEHJQZPONHLSD-UHFFFAOYSA-N 1 2 398.304 4.256 20 30 GIEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1Br)Cc1cccc(C#N)c1 ZINC000063300651 823661057 /nfs/dbraw/zinc/66/10/57/823661057.db2.gz UMEHJQZPONHLSD-UHFFFAOYSA-N 1 2 398.304 4.256 20 30 GIEDLO C=CC[N@@H+](CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)Cc1cccc(C#N)c1 ZINC000063388330 823666335 /nfs/dbraw/zinc/66/63/35/823666335.db2.gz OLPGILOHIZVUEN-FQEVSTJZSA-N 1 2 387.527 4.374 20 30 GIEDLO C=CC[N@H+](CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)Cc1cccc(C#N)c1 ZINC000063388330 823666337 /nfs/dbraw/zinc/66/63/37/823666337.db2.gz OLPGILOHIZVUEN-FQEVSTJZSA-N 1 2 387.527 4.374 20 30 GIEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000126732769 823938169 /nfs/dbraw/zinc/93/81/69/823938169.db2.gz AQPYWULXGDROTE-CYBMUJFWSA-N 1 2 379.888 4.308 20 30 GIEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000126732769 823938181 /nfs/dbraw/zinc/93/81/81/823938181.db2.gz AQPYWULXGDROTE-CYBMUJFWSA-N 1 2 379.888 4.308 20 30 GIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000126954773 823988444 /nfs/dbraw/zinc/98/84/44/823988444.db2.gz QDFMJQUZMFJGLS-PXNSSMCTSA-N 1 2 382.533 4.181 20 30 GIEDLO Cc1cccc2c1CC[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C2 ZINC000170987584 824028700 /nfs/dbraw/zinc/02/87/00/824028700.db2.gz NPYRXNFLVTWLJU-KRWDZBQOSA-N 1 2 379.529 4.386 20 30 GIEDLO Cc1cccc2c1CC[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C2 ZINC000170987584 824028704 /nfs/dbraw/zinc/02/87/04/824028704.db2.gz NPYRXNFLVTWLJU-KRWDZBQOSA-N 1 2 379.529 4.386 20 30 GIEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)c2)cc1 ZINC000120858021 823078289 /nfs/dbraw/zinc/07/82/89/823078289.db2.gz GRHIPRGDYAUMHN-QFIPXVFZSA-N 1 2 385.423 4.039 20 30 GIEDLO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000176321109 823181614 /nfs/dbraw/zinc/18/16/14/823181614.db2.gz VYGAVBWURWFFPX-KRWDZBQOSA-N 1 2 379.504 4.031 20 30 GIEDLO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000176321109 823181619 /nfs/dbraw/zinc/18/16/19/823181619.db2.gz VYGAVBWURWFFPX-KRWDZBQOSA-N 1 2 379.504 4.031 20 30 GIEDLO Cc1cc(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)n1CC(F)(F)F ZINC000176321173 823181634 /nfs/dbraw/zinc/18/16/34/823181634.db2.gz USLXYFLWTZXGBZ-UHFFFAOYSA-N 1 2 389.421 4.386 20 30 GIEDLO Cc1cc(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)n1CC(F)(F)F ZINC000176321173 823181638 /nfs/dbraw/zinc/18/16/38/823181638.db2.gz USLXYFLWTZXGBZ-UHFFFAOYSA-N 1 2 389.421 4.386 20 30 GIEDLO C[NH+](C)[C@@H](C(=O)Nc1ccc(C#N)c(Br)c1)c1cccc(Cl)c1 ZINC000571716908 823223775 /nfs/dbraw/zinc/22/37/75/823223775.db2.gz PMMABRZWNDTPCC-MRXNPFEDSA-N 1 2 392.684 4.216 20 30 GIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)Cc2ccsc2)c1C#N ZINC000015029697 818284842 /nfs/dbraw/zinc/28/48/42/818284842.db2.gz PYSAGSOYVIHPSO-UHFFFAOYSA-N 1 2 392.528 4.157 20 30 GIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)Cc2ccsc2)c1C#N ZINC000015029697 818284847 /nfs/dbraw/zinc/28/48/47/818284847.db2.gz PYSAGSOYVIHPSO-UHFFFAOYSA-N 1 2 392.528 4.157 20 30 GIEDLO CCCCCOc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023437537 818941004 /nfs/dbraw/zinc/94/10/04/818941004.db2.gz KPJPQFJWCWEIRR-UHFFFAOYSA-N 1 2 391.515 4.085 20 30 GIEDLO C[C@H]1CN(c2ccc(NCc3ccc(C#N)cc3C(F)(F)F)c[nH+]2)C[C@H](C)O1 ZINC000572651506 823375875 /nfs/dbraw/zinc/37/58/75/823375875.db2.gz DLHWADVODCYZFS-KBPBESRZSA-N 1 2 390.409 4.198 20 30 GIEDLO COCC[N@H+](Cc1csc(-c2ccc(OC)cc2)n1)Cc1ccc(C#N)cc1 ZINC000058397707 823385980 /nfs/dbraw/zinc/38/59/80/823385980.db2.gz XVEFZUPCOWWZMG-UHFFFAOYSA-N 1 2 393.512 4.339 20 30 GIEDLO COCC[N@@H+](Cc1csc(-c2ccc(OC)cc2)n1)Cc1ccc(C#N)cc1 ZINC000058397707 823385982 /nfs/dbraw/zinc/38/59/82/823385982.db2.gz XVEFZUPCOWWZMG-UHFFFAOYSA-N 1 2 393.512 4.339 20 30 GIEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000572726917 823389163 /nfs/dbraw/zinc/38/91/63/823389163.db2.gz LPJRVDLAAGTZND-UHFFFAOYSA-N 1 2 382.464 4.058 20 30 GIEDLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cccc(OCCCC#N)c3)cn2c1 ZINC000122906743 823432299 /nfs/dbraw/zinc/43/22/99/823432299.db2.gz UGDDBAJJAIOFEA-UHFFFAOYSA-N 1 2 394.500 4.197 20 30 GIEDLO C[N@H+](CC(=O)Nc1ccc(OCc2ccccc2)cc1)Cc1cccc(C#N)c1 ZINC000026323107 820082969 /nfs/dbraw/zinc/08/29/69/820082969.db2.gz AZDBWJLHTPKPOH-UHFFFAOYSA-N 1 2 385.467 4.208 20 30 GIEDLO C[N@@H+](CC(=O)Nc1ccc(OCc2ccccc2)cc1)Cc1cccc(C#N)c1 ZINC000026323107 820082978 /nfs/dbraw/zinc/08/29/78/820082978.db2.gz AZDBWJLHTPKPOH-UHFFFAOYSA-N 1 2 385.467 4.208 20 30 GIEDLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026325392 820083087 /nfs/dbraw/zinc/08/30/87/820083087.db2.gz VYJYVEDWTUKVNZ-UONOGXRCSA-N 1 2 392.528 4.174 20 30 GIEDLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026325392 820083091 /nfs/dbraw/zinc/08/30/91/820083091.db2.gz VYJYVEDWTUKVNZ-UONOGXRCSA-N 1 2 392.528 4.174 20 30 GIEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Br)s2)c(C#N)c1C ZINC000026814662 820148445 /nfs/dbraw/zinc/14/84/45/820148445.db2.gz IOXJLAVGGQXYSD-JTQLQIEISA-N 1 2 396.310 4.051 20 30 GIEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Br)s2)c(C#N)c1C ZINC000026814662 820148449 /nfs/dbraw/zinc/14/84/49/820148449.db2.gz IOXJLAVGGQXYSD-JTQLQIEISA-N 1 2 396.310 4.051 20 30 GIEDLO N#Cc1ccc(NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000031092489 820738406 /nfs/dbraw/zinc/73/84/06/820738406.db2.gz ZAPJQVDMSFXIGV-SFHVURJKSA-N 1 2 386.858 4.309 20 30 GIEDLO N#Cc1ccc(CCC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000031892450 820870934 /nfs/dbraw/zinc/87/09/34/820870934.db2.gz OCPVGCXTPPWOMC-FQEVSTJZSA-N 1 2 399.897 4.237 20 30 GIEDLO Cn1cc([C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c2cccc(F)c2)cn1 ZINC000180926232 821542245 /nfs/dbraw/zinc/54/22/45/821542245.db2.gz FPSUVWLYXSIXQL-FQEVSTJZSA-N 1 2 387.380 4.309 20 30 GIEDLO N#Cc1csc(C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1 ZINC000179076723 822435910 /nfs/dbraw/zinc/43/59/10/822435910.db2.gz PWOGWRKKNSKIIF-UHFFFAOYSA-N 1 2 385.492 4.148 20 30 GIEDLO C[C@@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000179876476 822569770 /nfs/dbraw/zinc/56/97/70/822569770.db2.gz LIOHQRYKGQRFRV-JPYJTQIMSA-N 1 2 399.498 4.214 20 30 GIEDLO Cn1cc(C[N@H+](C)Cc2ccccc2Br)c(-c2ccc(C#N)cc2)n1 ZINC000179882645 822571174 /nfs/dbraw/zinc/57/11/74/822571174.db2.gz KKLBHBAFGYUSGA-UHFFFAOYSA-N 1 2 395.304 4.353 20 30 GIEDLO Cn1cc(C[N@@H+](C)Cc2ccccc2Br)c(-c2ccc(C#N)cc2)n1 ZINC000179882645 822571181 /nfs/dbraw/zinc/57/11/81/822571181.db2.gz KKLBHBAFGYUSGA-UHFFFAOYSA-N 1 2 395.304 4.353 20 30 GIEDLO CCCOc1cc(C)ccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000047766001 822607831 /nfs/dbraw/zinc/60/78/31/822607831.db2.gz NVZGSXGNBFIOFA-UHFFFAOYSA-N 1 2 392.503 4.005 20 30 GIEDLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(C4(C#N)CC4)cc3)n2)CC1 ZINC000180152859 822628039 /nfs/dbraw/zinc/62/80/39/822628039.db2.gz DYAMMFZPAVIXJK-UHFFFAOYSA-N 1 2 380.517 4.182 20 30 GIEDLO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nc(C(C)(C)C)cs1 ZINC000184485781 822644119 /nfs/dbraw/zinc/64/41/19/822644119.db2.gz GOVQFAMOOJYIML-NSHDSACASA-N 1 2 376.913 4.255 20 30 GIEDLO COc1ccc(C[NH2+][C@@H](c2nc3ccccc3n2C)c2ccccc2)cc1C#N ZINC000174331892 822772618 /nfs/dbraw/zinc/77/26/18/822772618.db2.gz KKUAHVNRRQZXJH-HSZRJFAPSA-N 1 2 382.467 4.333 20 30 GIEDLO Cc1ccc(OC2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)cc1C ZINC000051992022 822786250 /nfs/dbraw/zinc/78/62/50/822786250.db2.gz NFMXKIHDERVQEB-SFHVURJKSA-N 1 2 377.488 4.046 20 30 GIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2ccccc2F)cc1 ZINC000052073398 822789739 /nfs/dbraw/zinc/78/97/39/822789739.db2.gz IIEINDRAWRPOJE-QGZVFWFLSA-N 1 2 383.467 4.164 20 30 GIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2ccccc2F)cc1 ZINC000052073398 822789742 /nfs/dbraw/zinc/78/97/42/822789742.db2.gz IIEINDRAWRPOJE-QGZVFWFLSA-N 1 2 383.467 4.164 20 30 GIEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000174530053 822801775 /nfs/dbraw/zinc/80/17/75/822801775.db2.gz SQQOIGYQAPVXQX-UHFFFAOYSA-N 1 2 397.910 4.068 20 30 GIEDLO COc1ccc(C2=CC[N@H+](CC(=O)Nc3ccccc3SCC#N)CC2)cc1 ZINC000052935437 822816141 /nfs/dbraw/zinc/81/61/41/822816141.db2.gz XMTPPEQAFMCEOL-UHFFFAOYSA-N 1 2 393.512 4.039 20 30 GIEDLO COc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccccc3SCC#N)CC2)cc1 ZINC000052935437 822816142 /nfs/dbraw/zinc/81/61/42/822816142.db2.gz XMTPPEQAFMCEOL-UHFFFAOYSA-N 1 2 393.512 4.039 20 30 GIEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)cc1OC ZINC000174669781 822821383 /nfs/dbraw/zinc/82/13/83/822821383.db2.gz FODWJHBJRMNKSC-CQSZACIVSA-N 1 2 383.423 4.300 20 30 GIEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cccc(C(F)(F)F)c1 ZINC000053111248 822822086 /nfs/dbraw/zinc/82/20/86/822822086.db2.gz XOWZZSUPSBDGEY-UHFFFAOYSA-N 1 2 393.434 4.392 20 30 GIEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cccc(C(F)(F)F)c1 ZINC000053111248 822822089 /nfs/dbraw/zinc/82/20/89/822822089.db2.gz XOWZZSUPSBDGEY-UHFFFAOYSA-N 1 2 393.434 4.392 20 30 GIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000569358119 822911162 /nfs/dbraw/zinc/91/11/62/822911162.db2.gz IDLYMHAJRAGDTE-MJGOQNOKSA-N 1 2 395.528 4.173 20 30 GIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000569358119 822911164 /nfs/dbraw/zinc/91/11/64/822911164.db2.gz IDLYMHAJRAGDTE-MJGOQNOKSA-N 1 2 395.528 4.173 20 30 GIEDLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000570273330 823021622 /nfs/dbraw/zinc/02/16/22/823021622.db2.gz VDNBKLOZIMUDCX-KXBFYZLASA-N 1 2 390.512 4.356 20 30 GIEDLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000570273330 823021624 /nfs/dbraw/zinc/02/16/24/823021624.db2.gz VDNBKLOZIMUDCX-KXBFYZLASA-N 1 2 390.512 4.356 20 30 GIEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000187208285 823025010 /nfs/dbraw/zinc/02/50/10/823025010.db2.gz SKTBTEQOZHSKTJ-UHFFFAOYSA-N 1 2 389.286 4.111 20 30 GIEDLO Cc1c(Cl)c(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc2ccccc12 ZINC000060557453 823542137 /nfs/dbraw/zinc/54/21/37/823542137.db2.gz TWRIRVZNMUZOPM-UHFFFAOYSA-N 1 2 390.918 4.386 20 30 GIEDLO COc1ccccc1[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccccn1 ZINC000124099061 823567507 /nfs/dbraw/zinc/56/75/07/823567507.db2.gz YZFMOQNQYQSUMI-XMMPIXPASA-N 1 2 386.499 4.319 20 30 GIEDLO C=C(C)[C@H](NC(=O)N(C)CCCc1[nH+]ccn1CCC)c1ccc(F)c(F)c1 ZINC000190656974 823595735 /nfs/dbraw/zinc/59/57/35/823595735.db2.gz YPEXSCYBRUGVHQ-FQEVSTJZSA-N 1 2 390.478 4.463 20 30 GIEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)Cc1cccc(C#N)c1 ZINC000063300792 823661042 /nfs/dbraw/zinc/66/10/42/823661042.db2.gz VTWWGQMPDZDXBM-UHFFFAOYSA-N 1 2 383.879 4.155 20 30 GIEDLO C=CC[N@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)Cc1cccc(C#N)c1 ZINC000063300792 823661044 /nfs/dbraw/zinc/66/10/44/823661044.db2.gz VTWWGQMPDZDXBM-UHFFFAOYSA-N 1 2 383.879 4.155 20 30 GIEDLO C=CC[N@@H+](CC(=O)NCCc1ccc(C(C)C)cc1)Cc1cccc(C#N)c1 ZINC000063300519 823661162 /nfs/dbraw/zinc/66/11/62/823661162.db2.gz ORTRXRWOGAXUHF-UHFFFAOYSA-N 1 2 375.516 4.029 20 30 GIEDLO C=CC[N@H+](CC(=O)NCCc1ccc(C(C)C)cc1)Cc1cccc(C#N)c1 ZINC000063300519 823661163 /nfs/dbraw/zinc/66/11/63/823661163.db2.gz ORTRXRWOGAXUHF-UHFFFAOYSA-N 1 2 375.516 4.029 20 30 GIEDLO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1cccc(C#N)c1 ZINC000462071048 823819274 /nfs/dbraw/zinc/81/92/74/823819274.db2.gz MWZYFFRHXBHTLW-YWZLYKJASA-N 1 2 399.897 4.235 20 30 GIEDLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1cccc(C#N)c1 ZINC000462071048 823819282 /nfs/dbraw/zinc/81/92/82/823819282.db2.gz MWZYFFRHXBHTLW-YWZLYKJASA-N 1 2 399.897 4.235 20 30 GIEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000462247003 823895609 /nfs/dbraw/zinc/89/56/09/823895609.db2.gz MUPYJTNEJPWCGC-QFIPXVFZSA-N 1 2 384.907 4.228 20 30 GIEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462252977 823900044 /nfs/dbraw/zinc/90/00/44/823900044.db2.gz GLJOUKOFDIYTAN-MRXNPFEDSA-N 1 2 398.532 4.318 20 30 GIEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000126617442 823912657 /nfs/dbraw/zinc/91/26/57/823912657.db2.gz PWWQAVXBNMYAGY-UHFFFAOYSA-N 1 2 383.860 4.002 20 30 GIEDLO N#Cc1cccc(COc2cccc(C[NH2+]Cc3nnc(C4CC4)s3)c2)c1 ZINC000414561474 824013288 /nfs/dbraw/zinc/01/32/88/824013288.db2.gz ZGQHISIFLLXFSE-UHFFFAOYSA-N 1 2 376.485 4.156 20 30 GIEDLO Cc1cccn2cc(COc3ccc(C(=O)Nc4cccc(C#N)c4)cc3)[nH+]c12 ZINC000010895353 221108726 /nfs/dbraw/zinc/10/87/26/221108726.db2.gz WMKOMFSKHMNYJF-UHFFFAOYSA-N 1 2 382.423 4.346 20 30 GIEDLO Cc1nc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)sc1SCC#N ZINC000121290669 823156365 /nfs/dbraw/zinc/15/63/65/823156365.db2.gz BJDZGLRAESEFGO-MRXNPFEDSA-N 1 2 386.546 4.060 20 30 GIEDLO Cc1nc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)sc1SCC#N ZINC000121290669 823156369 /nfs/dbraw/zinc/15/63/69/823156369.db2.gz BJDZGLRAESEFGO-MRXNPFEDSA-N 1 2 386.546 4.060 20 30 GIEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571351247 823169476 /nfs/dbraw/zinc/16/94/76/823169476.db2.gz MSFSBRVSONWDCM-RBUKOAKNSA-N 1 2 389.833 4.055 20 30 GIEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571351247 823169480 /nfs/dbraw/zinc/16/94/80/823169480.db2.gz MSFSBRVSONWDCM-RBUKOAKNSA-N 1 2 389.833 4.055 20 30 GIEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000459462655 823197221 /nfs/dbraw/zinc/19/72/21/823197221.db2.gz KBDOUKOMDYXGQI-BXUZGUMPSA-N 1 2 395.315 4.337 20 30 GIEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000121904262 823273731 /nfs/dbraw/zinc/27/37/31/823273731.db2.gz LSIQTYGNMVIMKS-ZHRRBRCNSA-N 1 2 399.922 4.036 20 30 GIEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000121998971 823290855 /nfs/dbraw/zinc/29/08/55/823290855.db2.gz SGGFOZYERBYBJD-GFCCVEGCSA-N 1 2 376.913 4.171 20 30 GIEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000121998971 823290858 /nfs/dbraw/zinc/29/08/58/823290858.db2.gz SGGFOZYERBYBJD-GFCCVEGCSA-N 1 2 376.913 4.171 20 30 GIEDLO CCC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1C ZINC000572487674 823348292 /nfs/dbraw/zinc/34/82/92/823348292.db2.gz NOAIPZHCDOACDV-INIZCTEOSA-N 1 2 380.448 4.014 20 30 GIEDLO CCC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1C ZINC000572487674 823348298 /nfs/dbraw/zinc/34/82/98/823348298.db2.gz NOAIPZHCDOACDV-INIZCTEOSA-N 1 2 380.448 4.014 20 30 GIEDLO COCC[N@H+](Cc1csc(-c2cccc(OC)c2)n1)Cc1ccc(C#N)cc1 ZINC000058397670 823385719 /nfs/dbraw/zinc/38/57/19/823385719.db2.gz KWUNPQGSVZSSIC-UHFFFAOYSA-N 1 2 393.512 4.339 20 30 GIEDLO COCC[N@@H+](Cc1csc(-c2cccc(OC)c2)n1)Cc1ccc(C#N)cc1 ZINC000058397670 823385728 /nfs/dbraw/zinc/38/57/28/823385728.db2.gz KWUNPQGSVZSSIC-UHFFFAOYSA-N 1 2 393.512 4.339 20 30 GIEDLO C=CCn1c(COc2ccccc2)nnc1SCc1[nH+]cc(C)c(OC)c1C ZINC000122730643 823402212 /nfs/dbraw/zinc/40/22/12/823402212.db2.gz OXMOJJJJJATISB-UHFFFAOYSA-N 1 2 396.516 4.356 20 30 GIEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)s1 ZINC000177291309 823423031 /nfs/dbraw/zinc/42/30/31/823423031.db2.gz SFYYVWAZVNTJBV-LBPRGKRZSA-N 1 2 376.551 4.195 20 30 GIEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)s1 ZINC000177291309 823423035 /nfs/dbraw/zinc/42/30/35/823423035.db2.gz SFYYVWAZVNTJBV-LBPRGKRZSA-N 1 2 376.551 4.195 20 30 GIEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000058715059 823438092 /nfs/dbraw/zinc/43/80/92/823438092.db2.gz CMHZXUAMQOSRDO-OAQYLSRUSA-N 1 2 396.922 4.190 20 30 GIEDLO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026323916 820083655 /nfs/dbraw/zinc/08/36/55/820083655.db2.gz WITLVIVRWOHIQA-QHCPKHFHSA-N 1 2 385.467 4.379 20 30 GIEDLO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026323916 820083665 /nfs/dbraw/zinc/08/36/65/820083665.db2.gz WITLVIVRWOHIQA-QHCPKHFHSA-N 1 2 385.467 4.379 20 30 GIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccc(Cl)s1 ZINC000026812654 820147951 /nfs/dbraw/zinc/14/79/51/820147951.db2.gz AIPJBEDWTHGQSD-SNVBAGLBSA-N 1 2 379.938 4.282 20 30 GIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000026812654 820147953 /nfs/dbraw/zinc/14/79/53/820147953.db2.gz AIPJBEDWTHGQSD-SNVBAGLBSA-N 1 2 379.938 4.282 20 30 GIEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573196537 823464288 /nfs/dbraw/zinc/46/42/88/823464288.db2.gz KNTWBEAGRRGGRZ-WFXMLNOXSA-N 1 2 389.902 4.205 20 30 GIEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573196537 823464291 /nfs/dbraw/zinc/46/42/91/823464291.db2.gz KNTWBEAGRRGGRZ-WFXMLNOXSA-N 1 2 389.902 4.205 20 30 GIEDLO N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000028695961 820352248 /nfs/dbraw/zinc/35/22/48/820352248.db2.gz YXCSGWAYXFIARP-UHFFFAOYSA-N 1 2 392.462 4.400 20 30 GIEDLO CC(C)c1csc(C(C#N)=C(O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)n1 ZINC000180781941 821454633 /nfs/dbraw/zinc/45/46/33/821454633.db2.gz AOISXRBAMUTTFR-LJQANCHMSA-N 1 2 396.560 4.287 20 30 GIEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044567467 821609697 /nfs/dbraw/zinc/60/96/97/821609697.db2.gz YBMNTOQJDITUGZ-MRXNPFEDSA-N 1 2 386.455 4.164 20 30 GIEDLO N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccn4cc[nH+]c4c3)cc2)cc1 ZINC000178190752 822347749 /nfs/dbraw/zinc/34/77/49/822347749.db2.gz MNFCXWCPOSOJQP-UHFFFAOYSA-N 1 2 383.411 4.320 20 30 GIEDLO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ncc(-c2ccccc2)o1 ZINC000182728053 822358358 /nfs/dbraw/zinc/35/83/58/822358358.db2.gz PFNWBVALTIGTGZ-JXFKEZNVSA-N 1 2 386.455 4.059 20 30 GIEDLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046526919 822481076 /nfs/dbraw/zinc/48/10/76/822481076.db2.gz VBDOAXNYJSINDC-KBPBESRZSA-N 1 2 392.528 4.174 20 30 GIEDLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046526919 822481077 /nfs/dbraw/zinc/48/10/77/822481077.db2.gz VBDOAXNYJSINDC-KBPBESRZSA-N 1 2 392.528 4.174 20 30 GIEDLO Cc1nc(-c2cccc(NC(=O)C[N@@H+](C)Cc3ccc(C#N)cc3)c2)cs1 ZINC000046527268 822481385 /nfs/dbraw/zinc/48/13/85/822481385.db2.gz VUKRXLUOQKTGOE-UHFFFAOYSA-N 1 2 376.485 4.061 20 30 GIEDLO Cc1nc(-c2cccc(NC(=O)C[N@H+](C)Cc3ccc(C#N)cc3)c2)cs1 ZINC000046527268 822481389 /nfs/dbraw/zinc/48/13/89/822481389.db2.gz VUKRXLUOQKTGOE-UHFFFAOYSA-N 1 2 376.485 4.061 20 30 GIEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1OCCCC#N ZINC000179429730 822481546 /nfs/dbraw/zinc/48/15/46/822481546.db2.gz SWZXXSWYLHXOBW-QFIPXVFZSA-N 1 2 384.451 4.090 20 30 GIEDLO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1OCCCC#N ZINC000179429730 822481547 /nfs/dbraw/zinc/48/15/47/822481547.db2.gz SWZXXSWYLHXOBW-QFIPXVFZSA-N 1 2 384.451 4.090 20 30 GIEDLO C[NH+](C)[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc(C(F)(F)F)c1 ZINC000183872779 822539002 /nfs/dbraw/zinc/53/90/02/822539002.db2.gz YVXTXYBVSUALKP-CPHRPENTSA-N 1 2 381.354 4.041 20 30 GIEDLO C=CCc1cc(OCC)cc(C[N@@H+]2CCSC[C@H]2c2nccs2)c1O ZINC000184885630 822707172 /nfs/dbraw/zinc/70/71/72/822707172.db2.gz MQPOZUMPZISMRR-KRWDZBQOSA-N 1 2 376.547 4.266 20 30 GIEDLO C=CCc1cc(OCC)cc(C[N@H+]2CCSC[C@H]2c2nccs2)c1O ZINC000184885630 822707177 /nfs/dbraw/zinc/70/71/77/822707177.db2.gz MQPOZUMPZISMRR-KRWDZBQOSA-N 1 2 376.547 4.266 20 30 GIEDLO O=C(CN1CCC[C@H]1c1cccs1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000051654013 822771809 /nfs/dbraw/zinc/77/18/09/822771809.db2.gz AUUABBHCTKXOHI-HNNXBMFYSA-N 1 2 376.551 4.226 20 30 GIEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cnc3c(C#N)cnn3c2)ccc1Br ZINC000569605802 822943991 /nfs/dbraw/zinc/94/39/91/822943991.db2.gz UNEAVTYZGJGXFV-GOSISDBHSA-N 1 2 396.292 4.009 20 30 GIEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2cnc3c(C#N)cnn3c2)ccc1Br ZINC000569605802 822943993 /nfs/dbraw/zinc/94/39/93/822943993.db2.gz UNEAVTYZGJGXFV-GOSISDBHSA-N 1 2 396.292 4.009 20 30 GIEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cc(C#N)ccc1C ZINC000175745734 823030925 /nfs/dbraw/zinc/03/09/25/823030925.db2.gz RPHUHTUZJLQRLG-UHFFFAOYSA-N 1 2 377.492 4.032 20 30 GIEDLO COC(=O)c1ccc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1 ZINC000060569114 823543374 /nfs/dbraw/zinc/54/33/74/823543374.db2.gz UGMUIJJQILXHOW-UHFFFAOYSA-N 1 2 378.403 4.279 20 30 GIEDLO COC(=O)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1 ZINC000060569114 823543377 /nfs/dbraw/zinc/54/33/77/823543377.db2.gz UGMUIJJQILXHOW-UHFFFAOYSA-N 1 2 378.403 4.279 20 30 GIEDLO C[N@H+](CCC1(C#N)CCCCC1)CC(=O)Nc1ccccc1Br ZINC000411153380 823552374 /nfs/dbraw/zinc/55/23/74/823552374.db2.gz BHTJJTXGUZAMPL-UHFFFAOYSA-N 1 2 378.314 4.184 20 30 GIEDLO C[N@@H+](CCC1(C#N)CCCCC1)CC(=O)Nc1ccccc1Br ZINC000411153380 823552376 /nfs/dbraw/zinc/55/23/76/823552376.db2.gz BHTJJTXGUZAMPL-UHFFFAOYSA-N 1 2 378.314 4.184 20 30 GIEDLO CCCCn1c(SCc2ccc(C#N)c(F)c2)nnc1[C@@H](CC)[NH+](C)C ZINC000190979464 823633653 /nfs/dbraw/zinc/63/36/53/823633653.db2.gz ZKBAAZPUMRHVQQ-QGZVFWFLSA-N 1 2 375.517 4.394 20 30 GIEDLO C=CC[N@@H+](CC(=O)N1CC[C@H](C)Sc2ccccc21)Cc1cccc(C#N)c1 ZINC000063300766 823661155 /nfs/dbraw/zinc/66/11/55/823661155.db2.gz PZJYZIOSYFBNDF-SFHVURJKSA-N 1 2 391.540 4.464 20 30 GIEDLO C=CC[N@H+](CC(=O)N1CC[C@H](C)Sc2ccccc21)Cc1cccc(C#N)c1 ZINC000063300766 823661156 /nfs/dbraw/zinc/66/11/56/823661156.db2.gz PZJYZIOSYFBNDF-SFHVURJKSA-N 1 2 391.540 4.464 20 30 GIEDLO CC(C)Oc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1C#N ZINC000462283752 823912403 /nfs/dbraw/zinc/91/24/03/823912403.db2.gz MJSKCUPMWCOLEK-MRXNPFEDSA-N 1 2 398.532 4.318 20 30 GIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](C)CCC2CCOCC2)c1=S ZINC000121099370 823118190 /nfs/dbraw/zinc/11/81/90/823118190.db2.gz SFRSLQPKISBMJW-UHFFFAOYSA-N 1 2 390.528 4.112 20 30 GIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](C)CCC2CCOCC2)c1=S ZINC000121099370 823118192 /nfs/dbraw/zinc/11/81/92/823118192.db2.gz SFRSLQPKISBMJW-UHFFFAOYSA-N 1 2 390.528 4.112 20 30 GIEDLO C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000459390398 823180968 /nfs/dbraw/zinc/18/09/68/823180968.db2.gz IZSVOVXSBVPZHS-LBPRGKRZSA-N 1 2 379.338 4.258 20 30 GIEDLO CCOC(=O)c1oc2ccc(Br)cc2c1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459444129 823193249 /nfs/dbraw/zinc/19/32/49/823193249.db2.gz ADCCKBUWMUGDNR-XHDPSFHLSA-N 1 2 391.265 4.154 20 30 GIEDLO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000056744490 823205304 /nfs/dbraw/zinc/20/53/04/823205304.db2.gz SHRKRBLKDSKIMX-UHFFFAOYSA-N 1 2 399.454 4.100 20 30 GIEDLO CCCOc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000056746641 823205455 /nfs/dbraw/zinc/20/54/55/823205455.db2.gz JHQAOBVUUFIXIZ-UHFFFAOYSA-N 1 2 392.503 4.005 20 30 GIEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459501214 823205502 /nfs/dbraw/zinc/20/55/02/823205502.db2.gz ZIHWMVROZKMCMN-UHFFFAOYSA-N 1 2 397.316 4.385 20 30 GIEDLO N#CC1(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)CCCCC1 ZINC000057382008 823285382 /nfs/dbraw/zinc/28/53/82/823285382.db2.gz XRZJWJGYYYMGAN-UHFFFAOYSA-N 1 2 380.517 4.114 20 30 GIEDLO N#CC1(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)CCCCC1 ZINC000057382008 823285387 /nfs/dbraw/zinc/28/53/87/823285387.db2.gz XRZJWJGYYYMGAN-UHFFFAOYSA-N 1 2 380.517 4.114 20 30 GIEDLO CC(C)CCN(CCC#N)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000176882957 823316841 /nfs/dbraw/zinc/31/68/41/823316841.db2.gz JAGLKGSEFGRQJS-OALUTQOASA-N 1 2 386.540 4.089 20 30 GIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCSc3ccc(Cl)cc3)CC2)cc1 ZINC000017843341 818530990 /nfs/dbraw/zinc/53/09/90/818530990.db2.gz LCHMZVOLUUZLLJ-UHFFFAOYSA-N 1 2 399.947 4.038 20 30 GIEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(SCC#N)c3)n2)C1 ZINC000177018557 823350406 /nfs/dbraw/zinc/35/04/06/823350406.db2.gz GNVXVQLEQGOXRB-CQSZACIVSA-N 1 2 386.546 4.243 20 30 GIEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(SCC#N)c3)n2)C1 ZINC000177018557 823350411 /nfs/dbraw/zinc/35/04/11/823350411.db2.gz GNVXVQLEQGOXRB-CQSZACIVSA-N 1 2 386.546 4.243 20 30 GIEDLO C[C@@H]1CN(c2ccc(NCc3ccc(C#N)cc3C(F)(F)F)c[nH+]2)C[C@@H](C)O1 ZINC000572651508 823375727 /nfs/dbraw/zinc/37/57/27/823375727.db2.gz DLHWADVODCYZFS-ZIAGYGMSSA-N 1 2 390.409 4.198 20 30 GIEDLO C=CC[N@@H+](Cc1cn2cc(Br)ccc2n1)Cc1cccc(C#N)c1 ZINC000058396646 823385423 /nfs/dbraw/zinc/38/54/23/823385423.db2.gz GHSPEIRJHKLDBC-UHFFFAOYSA-N 1 2 381.277 4.157 20 30 GIEDLO C=CC[N@H+](Cc1cn2cc(Br)ccc2n1)Cc1cccc(C#N)c1 ZINC000058396646 823385426 /nfs/dbraw/zinc/38/54/26/823385426.db2.gz GHSPEIRJHKLDBC-UHFFFAOYSA-N 1 2 381.277 4.157 20 30 GIEDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1cccc(C#N)c1 ZINC000026323509 820083303 /nfs/dbraw/zinc/08/33/03/820083303.db2.gz AUWHADKQRMXJQL-UHFFFAOYSA-N 1 2 381.785 4.301 20 30 GIEDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1cccc(C#N)c1 ZINC000026323509 820083313 /nfs/dbraw/zinc/08/33/13/820083313.db2.gz AUWHADKQRMXJQL-UHFFFAOYSA-N 1 2 381.785 4.301 20 30 GIEDLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026325388 820083432 /nfs/dbraw/zinc/08/34/32/820083432.db2.gz VYJYVEDWTUKVNZ-ZIAGYGMSSA-N 1 2 392.528 4.174 20 30 GIEDLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026325388 820083441 /nfs/dbraw/zinc/08/34/41/820083441.db2.gz VYJYVEDWTUKVNZ-ZIAGYGMSSA-N 1 2 392.528 4.174 20 30 GIEDLO N#Cc1ccc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc1 ZINC000028743074 820355104 /nfs/dbraw/zinc/35/51/04/820355104.db2.gz ZCBKDZKXLQYUGR-UHFFFAOYSA-N 1 2 390.437 4.143 20 30 GIEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)Cc1cccs1 ZINC000029067175 820388814 /nfs/dbraw/zinc/38/88/14/820388814.db2.gz LLQMTROBOSADTJ-UHFFFAOYSA-N 1 2 380.897 4.045 20 30 GIEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)Cc1cccs1 ZINC000029067175 820388825 /nfs/dbraw/zinc/38/88/25/820388825.db2.gz LLQMTROBOSADTJ-UHFFFAOYSA-N 1 2 380.897 4.045 20 30 GIEDLO COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(C#N)cc2Br)cc1OC ZINC000181229687 821707974 /nfs/dbraw/zinc/70/79/74/821707974.db2.gz LUFVQALNDRBAFW-NSHDSACASA-N 1 2 393.256 4.328 20 30 GIEDLO N#Cc1ccccc1Oc1ccccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000181676386 821939073 /nfs/dbraw/zinc/93/90/73/821939073.db2.gz DSNFEOJYZVTSNK-UHFFFAOYSA-N 1 2 386.455 4.368 20 30 GIEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000046086361 822440259 /nfs/dbraw/zinc/44/02/59/822440259.db2.gz NWQNTNJOIKXRFA-UHFFFAOYSA-N 1 2 388.540 4.318 20 30 GIEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000046086361 822440261 /nfs/dbraw/zinc/44/02/61/822440261.db2.gz NWQNTNJOIKXRFA-UHFFFAOYSA-N 1 2 388.540 4.318 20 30 GIEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943783 822533214 /nfs/dbraw/zinc/53/32/14/822533214.db2.gz BCWNYYTWHRIHAN-UHFFFAOYSA-N 1 2 390.940 4.163 20 30 GIEDLO COC(=O)c1sc2ncc(C(=O)/C=C/c3c[nH+]c4ccc(C)cn34)cc2c1C ZINC000179737870 822539258 /nfs/dbraw/zinc/53/92/58/822539258.db2.gz VPKNCBMXPNHBQY-AATRIKPKSA-N 1 2 391.452 4.244 20 30 GIEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000183940101 822550767 /nfs/dbraw/zinc/55/07/67/822550767.db2.gz TVYRTVKIKRGAJU-HNNXBMFYSA-N 1 2 387.405 4.096 20 30 GIEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000184086917 822576132 /nfs/dbraw/zinc/57/61/32/822576132.db2.gz CPLRFSXQRNZNQC-LLVKDONJSA-N 1 2 378.226 4.399 20 30 GIEDLO CC(C)COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000184162114 822588463 /nfs/dbraw/zinc/58/84/63/822588463.db2.gz NIDXBBMXIMRVKA-RDTXWAMCSA-N 1 2 389.883 4.135 20 30 GIEDLO Cn1cc(C[NH2+][C@H](c2nccs2)c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180155984 822628866 /nfs/dbraw/zinc/62/88/66/822628866.db2.gz AEVYBJQVMKACDJ-NRFANRHFSA-N 1 2 385.496 4.294 20 30 GIEDLO Cc1cc(OC(C)C)ccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000048121019 822635338 /nfs/dbraw/zinc/63/53/38/822635338.db2.gz IFFZOBPKRUKYQP-UHFFFAOYSA-N 1 2 392.503 4.004 20 30 GIEDLO Cn1cc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180323429 822663436 /nfs/dbraw/zinc/66/34/36/822663436.db2.gz RCVBLNWILKEUPN-UHFFFAOYSA-N 1 2 388.862 4.410 20 30 GIEDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cs1 ZINC000184689725 822677294 /nfs/dbraw/zinc/67/72/94/822677294.db2.gz DUHGZBDJBYVPNT-KBPBESRZSA-N 1 2 388.562 4.389 20 30 GIEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cs1 ZINC000184745237 822685150 /nfs/dbraw/zinc/68/51/50/822685150.db2.gz CQLXHOQKHNUNIR-CQSZACIVSA-N 1 2 390.940 4.265 20 30 GIEDLO CCc1nc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cs1 ZINC000184745259 822685224 /nfs/dbraw/zinc/68/52/24/822685224.db2.gz CQLXHOQKHNUNIR-AWEZNQCLSA-N 1 2 390.940 4.265 20 30 GIEDLO C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N(CCC#N)c1ccccc1 ZINC000184890786 822708209 /nfs/dbraw/zinc/70/82/09/822708209.db2.gz CEHVDBXATWXVMI-ZWKOTPCHSA-N 1 2 388.471 4.328 20 30 GIEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)s1 ZINC000185014277 822725499 /nfs/dbraw/zinc/72/54/99/822725499.db2.gz FORFIOFQJIBOAQ-OAHLLOKOSA-N 1 2 393.516 4.020 20 30 GIEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(CC#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000455903071 822745675 /nfs/dbraw/zinc/74/56/75/822745675.db2.gz IFBMGPYOKDMFKT-OALUTQOASA-N 1 2 386.858 4.112 20 30 GIEDLO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(CC#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000455903071 822745677 /nfs/dbraw/zinc/74/56/77/822745677.db2.gz IFBMGPYOKDMFKT-OALUTQOASA-N 1 2 386.858 4.112 20 30 GIEDLO N#Cc1ccsc1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000052031130 822788725 /nfs/dbraw/zinc/78/87/25/822788725.db2.gz NQRMQQYSKALHSJ-GOSISDBHSA-N 1 2 393.537 4.211 20 30 GIEDLO N#Cc1ccsc1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000052031130 822788726 /nfs/dbraw/zinc/78/87/26/822788726.db2.gz NQRMQQYSKALHSJ-GOSISDBHSA-N 1 2 393.537 4.211 20 30 GIEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(Br)cs2)c(C#N)c1C ZINC000052847971 822812877 /nfs/dbraw/zinc/81/28/77/822812877.db2.gz KNSWKKNZUJLCOG-JTQLQIEISA-N 1 2 396.310 4.051 20 30 GIEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(Br)cs2)c(C#N)c1C ZINC000052847971 822812880 /nfs/dbraw/zinc/81/28/80/822812880.db2.gz KNSWKKNZUJLCOG-JTQLQIEISA-N 1 2 396.310 4.051 20 30 GIEDLO Cc1cc(C)c(CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c[nH+]1 ZINC000456836304 822836716 /nfs/dbraw/zinc/83/67/16/822836716.db2.gz ASQGBCHDALLLGT-UHFFFAOYSA-N 1 2 387.487 4.022 20 30 GIEDLO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186283968 822870344 /nfs/dbraw/zinc/87/03/44/822870344.db2.gz RVLDKPNAYWCVLU-ROUUACIJSA-N 1 2 387.487 4.048 20 30 GIEDLO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3nc(C#N)cs3)c(C(F)(F)F)c2)n1 ZINC000569514080 822932509 /nfs/dbraw/zinc/93/25/09/822932509.db2.gz UAGCCDHBVIUPNO-UHFFFAOYSA-N 1 2 391.422 4.126 20 30 GIEDLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000570273328 823021692 /nfs/dbraw/zinc/02/16/92/823021692.db2.gz VDNBKLOZIMUDCX-HNAYVOBHSA-N 1 2 390.512 4.356 20 30 GIEDLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000570273328 823021693 /nfs/dbraw/zinc/02/16/93/823021693.db2.gz VDNBKLOZIMUDCX-HNAYVOBHSA-N 1 2 390.512 4.356 20 30 GIEDLO N#CCc1cc[nH+]c(NCc2cc(Br)cc(Br)c2)c1 ZINC000570362029 823029010 /nfs/dbraw/zinc/02/90/10/823029010.db2.gz FKUMWVRCJOXCGA-UHFFFAOYSA-N 1 2 381.071 4.285 20 30 GIEDLO C=C(C)Cn1c(C(C)C)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000460943513 823547531 /nfs/dbraw/zinc/54/75/31/823547531.db2.gz MFOOFXWVIFADCW-UHFFFAOYSA-N 1 2 382.556 4.116 20 30 GIEDLO N#Cc1ccc(C[N@H+]2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)o1 ZINC000124047733 823562937 /nfs/dbraw/zinc/56/29/37/823562937.db2.gz RDGYAFIQBISNSH-UHFFFAOYSA-N 1 2 390.418 4.493 20 30 GIEDLO N#Cc1ccc(C[N@@H+]2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)o1 ZINC000124047733 823562938 /nfs/dbraw/zinc/56/29/38/823562938.db2.gz RDGYAFIQBISNSH-UHFFFAOYSA-N 1 2 390.418 4.493 20 30 GIEDLO C=C(C)[C@@H](NC(=O)N(C)CCCc1[nH+]ccn1CCC)c1ccc(F)c(F)c1 ZINC000190656948 823595859 /nfs/dbraw/zinc/59/58/59/823595859.db2.gz YPEXSCYBRUGVHQ-HXUWFJFHSA-N 1 2 390.478 4.463 20 30 GIEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000124997381 823643593 /nfs/dbraw/zinc/64/35/93/823643593.db2.gz JAVBJNNFAHWZTE-WMLDXEAASA-N 1 2 393.409 4.190 20 30 GIEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000124997205 823643653 /nfs/dbraw/zinc/64/36/53/823643653.db2.gz JAVBJNNFAHWZTE-RHSMWYFYSA-N 1 2 393.409 4.190 20 30 GIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000125009803 823644817 /nfs/dbraw/zinc/64/48/17/823644817.db2.gz XIADQUDACDSWBG-IAGOWNOFSA-N 1 2 397.548 4.158 20 30 GIEDLO Cc1cc(C(N)=[NH+]OCC(=O)Nc2ccccc2-c2ccccc2)ccc1F ZINC000063457803 823672609 /nfs/dbraw/zinc/67/26/09/823672609.db2.gz SATSUJZYUNIYAR-UHFFFAOYSA-N 1 2 377.419 4.077 20 30 GIEDLO Cc1nc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(Cl)cc1C#N ZINC000461933308 823764077 /nfs/dbraw/zinc/76/40/77/823764077.db2.gz DWFRGMUVKJRGSD-ROUUACIJSA-N 1 2 391.302 4.052 20 30 GIEDLO Cc1nc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(Cl)cc1C#N ZINC000461933308 823764086 /nfs/dbraw/zinc/76/40/86/823764086.db2.gz DWFRGMUVKJRGSD-ROUUACIJSA-N 1 2 391.302 4.052 20 30 GIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000191870409 823800075 /nfs/dbraw/zinc/80/00/75/823800075.db2.gz BAUDSVAXNJLRJT-UHFFFAOYSA-N 1 2 383.496 4.048 20 30 GIEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000413840507 823849001 /nfs/dbraw/zinc/84/90/01/823849001.db2.gz VOMGXMGAGBSXMH-JOCHJYFZSA-N 1 2 380.536 4.272 20 30 GIEDLO Cn1cc(CNc2[nH+]c3cc(Cl)ccc3n2C)c(-c2ccc(C#N)cc2)n1 ZINC000167768373 823894762 /nfs/dbraw/zinc/89/47/62/823894762.db2.gz NEBSKXMTIDVHAP-UHFFFAOYSA-N 1 2 376.851 4.111 20 30 GIEDLO COCC[N@H+](CC(=O)Nc1c(C)cccc1C(C)C)Cc1ccc(C#N)cc1 ZINC000063754345 222067803 /nfs/dbraw/zinc/06/78/03/222067803.db2.gz OFMRCYGSAZMYFE-UHFFFAOYSA-N 1 2 379.504 4.077 20 30 GIEDLO COCC[N@@H+](CC(=O)Nc1c(C)cccc1C(C)C)Cc1ccc(C#N)cc1 ZINC000063754345 222067806 /nfs/dbraw/zinc/06/78/06/222067806.db2.gz OFMRCYGSAZMYFE-UHFFFAOYSA-N 1 2 379.504 4.077 20 30 GIEDLO C=C(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)c(F)c1 ZINC000187372088 823051653 /nfs/dbraw/zinc/05/16/53/823051653.db2.gz GODPCYCQKUZOGD-GOSISDBHSA-N 1 2 376.359 4.147 20 30 GIEDLO N#Cc1ccc2ncc(C[N@@H+]3CCc4sccc4[C@H]3c3cccs3)n2c1 ZINC000121132739 823123905 /nfs/dbraw/zinc/12/39/05/823123905.db2.gz IOYPLROQCJNWOR-FQEVSTJZSA-N 1 2 376.510 4.477 20 30 GIEDLO N#Cc1ccc2ncc(C[N@H+]3CCc4sccc4[C@H]3c3cccs3)n2c1 ZINC000121132739 823123907 /nfs/dbraw/zinc/12/39/07/823123907.db2.gz IOYPLROQCJNWOR-FQEVSTJZSA-N 1 2 376.510 4.477 20 30 GIEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000459303773 823159053 /nfs/dbraw/zinc/15/90/53/823159053.db2.gz FOQDJZOLKZIGHP-UHFFFAOYSA-N 1 2 378.457 4.456 20 30 GIEDLO C[C@H](CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)Cn1cc[nH+]c1 ZINC000176405057 823201136 /nfs/dbraw/zinc/20/11/36/823201136.db2.gz YDDGCURXUZCXKV-OAHLLOKOSA-N 1 2 394.862 4.267 20 30 GIEDLO COc1ccc(C[N@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1OCCCC#N ZINC000459580851 823224598 /nfs/dbraw/zinc/22/45/98/823224598.db2.gz KGWXDDVNBURRTQ-UHFFFAOYSA-N 1 2 390.487 4.400 20 30 GIEDLO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1OCCCC#N ZINC000459580851 823224601 /nfs/dbraw/zinc/22/46/01/823224601.db2.gz KGWXDDVNBURRTQ-UHFFFAOYSA-N 1 2 390.487 4.400 20 30 GIEDLO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2SCC#N)cc1 ZINC000015548479 818336885 /nfs/dbraw/zinc/33/68/85/818336885.db2.gz AICGTNFZNIEMIS-HXUWFJFHSA-N 1 2 395.528 4.477 20 30 GIEDLO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2SCC#N)cc1 ZINC000015548479 818336891 /nfs/dbraw/zinc/33/68/91/818336891.db2.gz AICGTNFZNIEMIS-HXUWFJFHSA-N 1 2 395.528 4.477 20 30 GIEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)Cc1cccs1 ZINC000019540628 818594796 /nfs/dbraw/zinc/59/47/96/818594796.db2.gz JSJNVBUBMOCKDE-CQSZACIVSA-N 1 2 393.350 4.376 20 30 GIEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)Cc1cccs1 ZINC000019540628 818594800 /nfs/dbraw/zinc/59/48/00/818594800.db2.gz JSJNVBUBMOCKDE-CQSZACIVSA-N 1 2 393.350 4.376 20 30 GIEDLO N#CCCn1cc(C(=O)C[N@H+](CCC(F)(F)F)CC2CC2)c2ccccc21 ZINC000177172002 823390490 /nfs/dbraw/zinc/39/04/90/823390490.db2.gz VYAROMMQTSVZCN-UHFFFAOYSA-N 1 2 377.410 4.402 20 30 GIEDLO N#CCCn1cc(C(=O)C[N@@H+](CCC(F)(F)F)CC2CC2)c2ccccc21 ZINC000177172002 823390494 /nfs/dbraw/zinc/39/04/94/823390494.db2.gz VYAROMMQTSVZCN-UHFFFAOYSA-N 1 2 377.410 4.402 20 30 GIEDLO CCCCn1c(SCc2cc(C#N)ccc2F)nnc1[C@@H](CC)[NH+](C)C ZINC000029595370 820481140 /nfs/dbraw/zinc/48/11/40/820481140.db2.gz SCTOLIJPHYWEIC-QGZVFWFLSA-N 1 2 375.517 4.394 20 30 GIEDLO N#Cc1ccc(NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000031092486 820738254 /nfs/dbraw/zinc/73/82/54/820738254.db2.gz ZAPJQVDMSFXIGV-GOSISDBHSA-N 1 2 386.858 4.309 20 30 GIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000043154854 821369493 /nfs/dbraw/zinc/36/94/93/821369493.db2.gz FCKBFWNIEDPFRD-UHFFFAOYSA-N 1 2 389.286 4.215 20 30 GIEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CC#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181156034 821668749 /nfs/dbraw/zinc/66/87/49/821668749.db2.gz FJVAFDUTHMJOAF-UXHICEINSA-N 1 2 385.870 4.110 20 30 GIEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CC#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181156034 821668755 /nfs/dbraw/zinc/66/87/55/821668755.db2.gz FJVAFDUTHMJOAF-UXHICEINSA-N 1 2 385.870 4.110 20 30 GIEDLO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Br)cc1OC ZINC000181229702 821708180 /nfs/dbraw/zinc/70/81/80/821708180.db2.gz LUFVQALNDRBAFW-LLVKDONJSA-N 1 2 393.256 4.328 20 30 GIEDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1OCC ZINC000181386134 821799403 /nfs/dbraw/zinc/79/94/03/821799403.db2.gz MKUJICYTHXGWLA-HNNXBMFYSA-N 1 2 392.459 4.256 20 30 GIEDLO N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccn4cc[nH+]c4c3)cc2)c1 ZINC000178204477 822351980 /nfs/dbraw/zinc/35/19/80/822351980.db2.gz FWFQYLDJDYYZPA-UHFFFAOYSA-N 1 2 383.411 4.320 20 30 GIEDLO C[C@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000179876490 822569734 /nfs/dbraw/zinc/56/97/34/822569734.db2.gz LIOHQRYKGQRFRV-MBSDFSHPSA-N 1 2 399.498 4.214 20 30 GIEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180072496 822609716 /nfs/dbraw/zinc/60/97/16/822609716.db2.gz SICCIPZXQPXTGS-OAQYLSRUSA-N 1 2 392.890 4.186 20 30 GIEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180072496 822609718 /nfs/dbraw/zinc/60/97/18/822609718.db2.gz SICCIPZXQPXTGS-OAQYLSRUSA-N 1 2 392.890 4.186 20 30 GIEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)cs1 ZINC000184719808 822681586 /nfs/dbraw/zinc/68/15/86/822681586.db2.gz QLPIQQXFWNNHRO-GFCCVEGCSA-N 1 2 388.562 4.197 20 30 GIEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc2c(cc1Br)OCCO2 ZINC000180460333 822686100 /nfs/dbraw/zinc/68/61/00/822686100.db2.gz MKRMHHODBPURCP-NSHDSACASA-N 1 2 391.240 4.082 20 30 GIEDLO C[C@@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)N(CCC#N)c1ccccc1 ZINC000184890806 822708231 /nfs/dbraw/zinc/70/82/31/822708231.db2.gz CEHVDBXATWXVMI-QZTJIDSGSA-N 1 2 388.471 4.328 20 30 GIEDLO N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000051083011 822746106 /nfs/dbraw/zinc/74/61/06/822746106.db2.gz LZSOBIUQKLCVAT-UHFFFAOYSA-N 1 2 384.395 4.168 20 30 GIEDLO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 ZINC000185239006 822753245 /nfs/dbraw/zinc/75/32/45/822753245.db2.gz GTLRGWJFJNGLJB-OAHLLOKOSA-N 1 2 390.491 4.240 20 30 GIEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000187204397 823024597 /nfs/dbraw/zinc/02/45/97/823024597.db2.gz LUZKOIKQYQXDLC-UHFFFAOYSA-N 1 2 386.858 4.137 20 30 GIEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)[C@@H]2CCc3ccccc32)c1=S ZINC000177916030 823545872 /nfs/dbraw/zinc/54/58/72/823545872.db2.gz ZMXIQQQSQMSZHU-LJQANCHMSA-N 1 2 377.517 4.239 20 30 GIEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)[C@@H]2CCc3ccccc32)c1=S ZINC000177916030 823545874 /nfs/dbraw/zinc/54/58/74/823545874.db2.gz ZMXIQQQSQMSZHU-LJQANCHMSA-N 1 2 377.517 4.239 20 30 GIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000411140268 823551202 /nfs/dbraw/zinc/55/12/02/823551202.db2.gz SWJBNJCPCAJODE-QGZVFWFLSA-N 1 2 399.560 4.245 20 30 GIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000411140268 823551205 /nfs/dbraw/zinc/55/12/05/823551205.db2.gz SWJBNJCPCAJODE-QGZVFWFLSA-N 1 2 399.560 4.245 20 30 GIEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411498510 823581672 /nfs/dbraw/zinc/58/16/72/823581672.db2.gz QAQGJZKANABSIK-QGZVFWFLSA-N 1 2 398.473 4.300 20 30 GIEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411498510 823581676 /nfs/dbraw/zinc/58/16/76/823581676.db2.gz QAQGJZKANABSIK-QGZVFWFLSA-N 1 2 398.473 4.300 20 30 GIEDLO C=CCn1c(-c2ccc(Cl)cc2)nn(C[N@H+](C)CC2CCOCC2)c1=S ZINC000124707254 823619323 /nfs/dbraw/zinc/61/93/23/823619323.db2.gz BYMJLFFBZBHTPH-UHFFFAOYSA-N 1 2 392.956 4.236 20 30 GIEDLO C=CCn1c(-c2ccc(Cl)cc2)nn(C[N@@H+](C)CC2CCOCC2)c1=S ZINC000124707254 823619324 /nfs/dbraw/zinc/61/93/24/823619324.db2.gz BYMJLFFBZBHTPH-UHFFFAOYSA-N 1 2 392.956 4.236 20 30 GIEDLO C=CCn1c(SCc2ccc(-n3cc[nH+]c3)cc2C)nnc1-c1ccncc1 ZINC000191541063 823697750 /nfs/dbraw/zinc/69/77/50/823697750.db2.gz MLZWMYJISZQLSY-UHFFFAOYSA-N 1 2 388.500 4.313 20 30 GIEDLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1cccc(C#N)c1 ZINC000462071046 823819254 /nfs/dbraw/zinc/81/92/54/823819254.db2.gz MWZYFFRHXBHTLW-MGPUTAFESA-N 1 2 399.897 4.235 20 30 GIEDLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1cccc(C#N)c1 ZINC000462071046 823819260 /nfs/dbraw/zinc/81/92/60/823819260.db2.gz MWZYFFRHXBHTLW-MGPUTAFESA-N 1 2 399.897 4.235 20 30 GIEDLO C#CC[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)[C@@H]1CCc2ccccc21 ZINC000164907970 823825282 /nfs/dbraw/zinc/82/52/82/823825282.db2.gz FCNKBWHMVDPQMA-OAHLLOKOSA-N 1 2 398.260 4.215 20 30 GIEDLO C#CC[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)[C@@H]1CCc2ccccc21 ZINC000164907970 823825290 /nfs/dbraw/zinc/82/52/90/823825290.db2.gz FCNKBWHMVDPQMA-OAHLLOKOSA-N 1 2 398.260 4.215 20 30 GIEDLO C[C@@H](c1nnc(SCc2ccc(C#N)s2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000574823305 823835166 /nfs/dbraw/zinc/83/51/66/823835166.db2.gz TUGRHIAYFCITFB-LBPRGKRZSA-N 1 2 387.509 4.254 20 30 GIEDLO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc(C#N)c1 ZINC000462259967 823903186 /nfs/dbraw/zinc/90/31/86/823903186.db2.gz NYINWNWQUQTHMQ-SVIJTADQSA-N 1 2 385.870 4.016 20 30 GIEDLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc(C#N)c1 ZINC000462259967 823903194 /nfs/dbraw/zinc/90/31/94/823903194.db2.gz NYINWNWQUQTHMQ-SVIJTADQSA-N 1 2 385.870 4.016 20 30 GIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000126955211 823988488 /nfs/dbraw/zinc/98/84/88/823988488.db2.gz QDFMJQUZMFJGLS-FXAWDEMLSA-N 1 2 382.533 4.181 20 30 GIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(C)nn(Cc2ccccc2)c1C ZINC000575787816 823995712 /nfs/dbraw/zinc/99/57/12/823995712.db2.gz YGILBXNPSJRVBB-UHFFFAOYSA-N 1 2 379.504 4.212 20 30 GIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(C)nn(Cc2ccccc2)c1C ZINC000575787816 823995719 /nfs/dbraw/zinc/99/57/19/823995719.db2.gz YGILBXNPSJRVBB-UHFFFAOYSA-N 1 2 379.504 4.212 20 30 GIEDLO